3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-
Basic information
- CAS
45514-28-1- Standard SMILES
NC1=NNC(=O)C1N- InChIKey
PZQUSVQXQJZMJH-UHFFFAOYSA-N- Molecular formula
- C3H6N4O
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.05416083
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-
- IUPAC
- 3,4-diamino-1,4-dihydropyrazol-5-one
Names & synonyms
45514-28-13,4-Diamino-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-4,5-Diamino-2,4-dihydro-3H-pyrazol-3-oneDTXSID70388483AKOS006363002
Database identifiers
- CAS
45514-28-1- PubChem CID
- 3015656
- DTXSID
DTXSID70388483- Nikkaji
- J313.836D
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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