Basic information
- CAS
1196486-68-6- Standard SMILES
CC(=O)Oc1ccc(-n2cncn2)nc1C- InChIKey
XWAYHXYDPQPGHP-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.08037556
Names & identifiers
- Preferred name
- 2-Methyl-6-(1H-1,2,4-triazol-1-yl)pyridin-3-yl acetate
- IUPAC
- [2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl] acetate
Names & synonyms
SCHEMBL1128390XWAYHXYDPQPGHP-UHFFFAOYSA-NDTXSID9011876762-Methyl-6-(1H-1,2,4-triazol-1-yl)pyridin-3-yl acetate3-Pyridinol, 2-methyl-6-(1H-1,2,4-triazol-1-yl)-, 3-acetateacetic acid 2-methyl-6-[1,2,4]triazol-1-yl-pyridin-3-yl ester1196486-68-6
Database identifiers
- CAS
1196486-68-6- PubChem CID
- 66915293
- DTXSID
DTXSID901187676
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
4 records
Compound notes
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