Basic information
- CAS
52057-97-3- Standard SMILES
Nc1[nH][nH]c(=O)c1N- InChIKey
MUYIVZJCWVZYHR-UHFFFAOYSA-N- Molecular formula
- C3H6N4O
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.05416083
Names & identifiers
- Preferred name
- 4,5-Diamino-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4,5-diamino-1,2-dihydropyrazol-3-one
- English name
- 3,4-Diamino-5-hydroxypyrazol sulfat
- Molecular formula
- C3H6N4O
- Molecular weight
- 114.11
Names & synonyms
4,5-DIAMINO-1,2-DIHYDRO-3H-PYRAZOL-3-ONE4,5-diamino-1,2-dihydropyrazol-3-oneNSC252045NSC-2520453,4-diamino-1h-pyrazol-5-ol3,4-diaminopyrazol-5-olKJG2BHJ253SCHEMBL1190333,4-diamino-5-hydroxypyrazoleSCHEMBL1627272SCHEMBL58653324,5-Diamino-1H-pyrazol-3-ol
Show more names
3,4-Diamino-5-pyrazolol sulfate3,4-diaminopyrazole-5-ol sulphate3,4-Diamino-5-hydroxypyrazol sulfat3,4-Diamino-5-hydroxypyrazole sulfate,98%3,4-Diamino-5-HydroxypyrazoleSulphate,>95%3,4-Diamino-5-hydroxypyrazole sulfate salt
DTXSID90966424AKOS006221643AKOS0227196574,2-DIHYDRO-3H-PYRAZOL-3-ONEDA-05248ST510059313H-Pyrazol-3-one, 4,5-diamino-1,2-dihydro-PYRAZOL-3(OR 5)-OL, 4,5(OR 3,4)-DIAMINO-
Database identifiers
- CAS
52057-97-3- PubChem CID
- 259751
- DTXSID
DTXSID90966424- UNII
- KJG2BHJ253
- Nikkaji
- J1.407.510K、J378.278F
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- pka
- 7.61 · 7.61±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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