1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)-
Basic information
- CAS
143954-44-3- Standard SMILES
Cc1cc2nncn2c(Cc2ccccc2)n1- InChIKey
PGPXCCULVURNQV-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Names & identifiers
- Preferred name
- 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)-
- IUPAC
- 5-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
Names & synonyms
143954-44-31,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)-HMS2273J12SMR000038444MLS000071174CHEMBL1375870DTXSID30349691NCGC00018575-01NCGC00018575-025-Benzyl-7-methyl[1,2,4]triazolo[4,3-c]pyrimidine
Database identifiers
- CAS
143954-44-3- PubChem CID
- 657609
- DTXSID
DTXSID30349691- ChEMBL
CHEMBL1375870- Nikkaji
- J836.976C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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