Basic information
- CAS
108015-72-1- Standard SMILES
Nc1ncn(C(=O)c2ccccc2)n1- InChIKey
MXFPYXKIZFIHEF-UHFFFAOYSA-N- Molecular formula
- C9H8N4O
- Average molar mass
- 188.19 g/mol
- Monoisotopic mass
- 188.06981089
Names & identifiers
- Preferred name
- (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone
- IUPAC
- (3-amino-1,2,4-triazol-1-yl)-phenylmethanone
Names & synonyms
(3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone1-benzoyl-1H-1,2,4-triazol-3-amineChemDiv3_003846Oprea1_549507108015-72-1SCHEMBL7550703DTXSID801246182HMS1483O18STK388171AKOS003646192CCG-112655IDI1_021756
Show more names
3-amino(1,2,4-triazolyl) phenyl ketoneST45155746(3-Amino-1H-1,2,4-triazol-1-yl)phenylmethanoneAK-918/36805029SR-01000500202SR-01000500202-1BRD-K04761493-001-01-0
Database identifiers
- CAS
108015-72-1- PubChem CID
- 701985
- DTXSID
DTXSID801246182
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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