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7-Methyl-1,2,4-triazolo[4,3-a]pyrimidin-5-ol

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  • Name 7-Methyl-1,2,4-triazolo[4,3-a]pyrimidin-5-ol
  • EINECS223-422-9
  • CAS No. 3886-55-3
  • Density1.6 g/cm3
  • PSA63.31000
  • LogP0.13830
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H6N4O
  • Boiling Point241.6°C at 760 mmHg
  • Molecular Weight150.14
  • Flash Point99.9°C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 3886-55-3 (5-METHYL-7-HYDROXY-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE)
  • Hazard SymbolsN/A
  • SynonymsN/A

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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