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| Name |
7-Methyl-1,2,4-triazolo[4,3-a]pyrimidin-5-ol |
EINECS | 223-422-9 |
| CAS No. | 3886-55-3 | Density | 1.6 g/cm3 |
| PSA | 63.31000 | LogP | 0.13830 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H6N4O | Boiling Point | 241.6°C at 760 mmHg |
| Molecular Weight | 150.14 | Flash Point | 99.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
s-Triazolo[4,3-a]pyrimidin-5-ol,7-methyl- (6CI,7CI,8CI);4-Hydroxy-6-methyl-1,2,3a,7-tetraazaindene;5-Hydroxy-7-methyl-1,2,8-triazaindolizine;7-Hydroxy-5-methyl-2,3,4-triazaindolizine;NSC 7528; |
7-Methyl-1,2,4-triazolo[4,3-a]pyrimidin-5-ol Specification
The 7-Methyl-1,2,4-triazolo[4,3-a]pyrimidin-5-ol, with the CAS registry number 3886-55-3, is also known as 1,2,4-Triazolo[4,3-a]pyrimidin-5-ol, 7-methyl-. Its EINECS registry number is 223-422-9. This chemical's molecular formula is C6H6N4O and molecular weight is 150.14. Its IUPAC name is called 7-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
Physical properties of 7-Methyl-1,2,4-triazolo[4,3-a]pyrimidin-5-ol: (1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.772; (13)Molar Refractivity: 38.879 cm3; (14)Molar Volume: 93.34 cm3; (15)Surface Tension: 67.93 dyne/cm; (16)Density: 1.609 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=O)N2C=NNC2=N1
(2)InChI: InChI=1S/C6H6N4O/c1-4-2-5(11)10-3-7-9-6(10)8-4/h2-3H,1H3,(H,8,9)
(3)InChIKey: NWZKLXIFHRNXKJ-UHFFFAOYSA-N
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