5-Oxo-N-1H-1,2,4-triazol-3-ylpyrrolidine-2-carboxamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
24649-84-1- Standard SMILES
O=C1CCC(C(=O)Nc2ncn[nH]2)N1- InChIKey
GVDYNDLRRUIVSV-UHFFFAOYSA-N- Molecular formula
- C7H9N5O2
- Average molar mass
- 195.18 g/mol
- Monoisotopic mass
- 195.07562455
Names & identifiers
- Preferred name
- 5-Oxo-N-1H-1,2,4-triazol-3-ylpyrrolidine-2-carboxamide
- IUPAC
- 5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
- English name
- 5-oxo-N-1H-1,2,4-triazol-3-ylpyrrolidine-2-carboxamide
- Molecular formula
- C7H9N5O2
- Molecular weight
- 195.18
Names & synonyms
24649-84-1EINECS 246-384-55-Oxo-N-1H-1,2,4-triazol-3-ylpyrrolidine-2-carboxamideDTXSID30947590GVDYNDLRRUIVSV-UHFFFAOYSA-NAKOS010961263NS000505065-Hydroxy-N-(1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-pyrrole-2-carboximidic acid2-Pyrrolidinecarboxamide, 5-oxo-N-1H-1,2,4-triazol-5-yl-5-Oxo-N-(1H-1,2,4-triazol-3-yl)-2-pyrrolidinecarboxamide
Database identifiers
- CAS
24649-84-1- PubChem CID
- 91209
- DTXSID
DTXSID30947590- EC Number
- 246-384-5
- Nikkaji
- J286.364B
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Density
- 1.566 · 1.566±0.06 g/cm3(Predicted)
- pka
- 9.24 · 9.24±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…