3-Methyl-[1,2,4]triazolo[4,3-a]pyrimidine

HCID 327273

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Basic information

CAS: 65267-32-5
Standard SMILES: Cc1nnc2ncccn12
InChIKey: KWYDJVFGGRGQOB-UHFFFAOYSA-N
Molecular formula: C6H6N4
Average molar mass: 134.14 g/mol
Monoisotopic mass: 134.05924621

Names & identifiers

Preferred name: 3-Methyl-[1,2,4]triazolo[4,3-a]pyrimidine
IUPAC: 3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine

Names & synonyms

3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine65267-32-5NSC-3016693-METHYL-(1,2,4)TRIAZOLO(4,3-A)PYRIMIDINENSC301669T9Z37J9WRQSCHEMBL3200251SCHEMBL22714820DTXSID00316294AKOS0063719721,4-Triazolo[4,3-a]pyrimidine, 3-methyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine

Show more names

1,2,4-TRIAZOLO(4,3-A)PYRIMIDINE, 3-METHYL-

Database identifiers

CAS: 65267-32-5
PubChem CID: 327273
DTXSID: DTXSID00316294
UNII: T9Z37J9WRQ

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 127

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Compound notes

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