Basic information
- CAS
114804-91-0- Standard SMILES
CCCCCCCCC(=O)n1cnc(N)n1- InChIKey
ZESPYVNTMGWVMJ-UHFFFAOYSA-N- Molecular formula
- C11H20N4O
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.16371127
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazol-3-amine, 1-(1-oxononyl)-
- IUPAC
- 1-(3-amino-1,2,4-triazol-1-yl)nonan-1-one
Names & synonyms
114804-91-01H-1,2,4-Triazol-3-amine, 1-(1-oxononyl)-DTXSID703986881-(3-Amino-1H-1,2,4-triazol-1-yl)nonan-1-one
Database identifiers
- CAS
114804-91-0- PubChem CID
- 4037571
- DTXSID
DTXSID70398688
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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