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Name	5-(3-Methyl-1-triazeno)imidazole-4-carboxamide	EINECS	N/A
CAS No.	3413-72-7	Density	1.66g/cm³
PSA	108.52000	LogP	0.81790
Solubility	N/A	Melting Point	178 °C
Formula	C5H8 N6 O	Boiling Point	306.7°Cat760mmHg
Molecular Weight	168.158	Flash Point	139.3°C
Transport Information	N/A	Appearance	N/A
Safety	Questionable carcinogen with experimental carcinogenic and tumorigenic data. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1H-Imidazole-4-carboxamide,5-(3-methyl-1-triazenyl)- (9CI); Imidazole-4(or 5)-carboxamide, 5(or 4)-(3-methyl-1-triazeno)-(7CI); Imidazole-4-carboxamide, 5-(3-methyl-1-triazeno)- (8CI);5-(3-Methyl-1-triazeno)imidazole-4-carboxamide;5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide; MTIC; NSC 407347

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide Synthetic route

: 593-51-1
methylamine hydrochloride

: 7008-85-7
5-diazoimidazole-4-carboxamide

: 3413-72-7
5-(3-methyltriazen-1-yl)imidazole-4-carboxamide

Conditions

Conditions	Yield
With potassium carbonate 1.) water, ethyl acetate, 25 deg C, 18 h; 2.) ethyl acetate, 18 h; Yield given. Multistep reaction;

: 8-carbamoyl-3-methylimidazo<5,1-d>-1,2,3,5-tetrazin-4(3H)-one

: 3413-72-7
5-(3-methyltriazen-1-yl)imidazole-4-carboxamide

Conditions

Conditions	Yield
With 5 percent NaCO3 In water at 25℃; for 0.333333h;	0.09 g

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide Chemical Properties

Molecular structure of 5-(3-Methyl-1-triazeno)imidazole-4-carboxamide (CAS NO.3413-72-7) is:

Product Name: 5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
CAS Registry Number: 3413-72-7
IUPAC Name: (5E)-5-(methylaminohydrazinylidene)imidazole-4-carboxamide
Molecular Weight: 168.15662 [g/mol]
Molecular Formula: C₅H₈N₆O
XLogP3-AA: -0.7
H-Bond Donor: 3
H-Bond Acceptor: 6
Surface Tension: 73.7 dyne/cm
Density: 1.66 g/cm³
Flash Point: 247.9 °C
Enthalpy of Vaporization: 75.19 kJ/mol
Boiling Point: 486.3 °C at 760 mmHg
Vapour Pressure: 1.31E-09 mmHg at 25°C
Product Categories: Various Metabolites and Impurities;Metabolites & Impurities
Classification Code: Alkylating Agents ;Mutation data ;Noxae ;Tumor data

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide Uses

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide (CAS NO.3413-72-7) can be used as a metabolite of Temozolomide and an antineoplastic.

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	775mg/kg (775mg/kg)		Gann. Japanese Journal of Cancer Research. Vol. 59, Pg. 207, 1968.

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide Safety Profile

Questionable carcinogen with experimental carcinogenic and tumorigenic data. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide Specification

5-(3-Methyl-1-triazeno)imidazole-4-carboxamide , its cas register number is 3413-72-7. It also can be called 5-(3-Monomethyl-1-triazeno)imidazole-4-carboxamide ; 5-Monomethyltriazenoimidazole-4-carboxamide ; MTIC ; NSC-407347 ; 1H-Imidazole-4-carboxamide, 5-(3-methyl-1-triazenyl)- (9CI) ; Imidazole-4(or 5)-carboxamide, 5(or 4)-(3-methyl-1-triazeno)- (7CI) ; Imidazole-4-carboxamide, 5-(3-methyl-1-triazeno)- ; NSC 407347 . It is a off-white solid.

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