N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide
Basic information
- CAS
80616-57-5- Standard SMILES
CCC(=O)Nc1n[nH]c(NC(=O)CC)n1- InChIKey
MROIRCYPAFUJAB-UHFFFAOYSA-N- Molecular formula
- C8H13N5O2
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.10692467
Names & identifiers
- Preferred name
- N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide
- IUPAC
- N-[3-(propanoylamino)-1H-1,2,4-triazol-5-yl]propanamide
Names & synonyms
80616-57-5N-[5-(PROPANOYLAMINO)-2H-1,2,4-TRIAZOL-3-YL]PROPANAMIDENSC332060DTXSID70318508NSC-332060DS-011930N,N'-(1H-1,2,4-Triazole-3,5-diyl)dipropanamide
Database identifiers
- CAS
80616-57-5- PubChem CID
- 332816
- DTXSID
DTXSID70318508- Nikkaji
- J1.591.797K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
LogP-0.07
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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