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1004-65-5

Basic Information
CAS No.: 1004-65-5
Name: 3-Methyl-1,2,4-triazolo[4,3-a]pyridine
Article Data: 13
Molecular Structure:
Molecular Structure of 1004-65-5 (3-Methyl-1,2,4-triazolo[4,3-a]pyridine)
Formula: C7H7N3
Molecular Weight: 133.153
Synonyms: s-Triazolo[4,3-a]pyridine,3-methyl- (6CI,7CI,8CI);3-Methyl-s-triazolo[4,3-a]pyridine;NSC 68458;
Density: 1.24 g/cm3
Melting Point: 134℃
PSA: 30.19000
LogP: 1.03770
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Specification

This chemical is called 1,2,4-Triazolo[4,3-a]pyridine,3-methyl-, and its IUPAC name is 3-methyl-[1,2,4]triazolo[4,3-a]pyridine. With the molecular formula of C7H7N3, its molecular weight is 133.15. The CAS registry number of this chemical is 1004-65-5.

Other characteristics of the 1,2,4-Triazolo[4,3-a]pyridine,3-methyl- can be summarised as followings: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 30.19 Å2; (7)Index of Refraction: 1.658; (8)Molar Refractivity: 39.58 cm3; (9)Molar Volume: 107.3 cm3; (10)Polarizability: 15.69×10-24cm3; (11)Surface Tension: 47 dyne/cm; (12)Density: 1.24 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: n2nc1ccccn1c2C
2.InChI: InChI=1/C7H7N3/c1-6-8-9-7-4-2-3-5-10(6)7/h2-5H,1H3
3.InChIKey: XKXVBWLYSGMTCK-UHFFFAOYAN