Basic information
- CAS
768-06-9- Standard SMILES
O=C(NO)c1cnccn1- InChIKey
NCTRNIMTEYFJEG-UHFFFAOYSA-N- Molecular formula
- C5H5N3O2
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.03817641
Names & identifiers
- Preferred name
- Pyrazinecarbohydroxamic acid
- IUPAC
- N-hydroxypyrazine-2-carboxamide
- English name
- N-oxo-1,4-dihydropyrazine-2-carboxamide
- Molecular formula
- C5H5N3O2
- Molecular weight
- 139.11
Names & synonyms
N-Hydroxypyrazine-2-carboxamide768-06-9Pyrazinecarbohydroxamic acidNSC-132088NSC229446949-85-5N-oxo-1,4-dihydropyrazine-2-carboxamide2-Pyrazinecarbohydroxamic acidpyrazine-2-carbohydroxamic acid2-Pyrazinecarboxamide, N-hydroxy-Pyrazinehydroxamic acidPyrazinohydroxamic acid
Show more names
X7ZW8Y55ZESCHEMBL1412848N-Hydroxy-2-pyrazinecarboxamidePyrazinecarboxamide, N-hydroxy-SCHEMBL29775332DTXSID50998120NSC132088N-Hydroxypyrazine-2-carboximidic acid
Database identifiers
- CAS
768-06-9- PubChem CID
- 280449
- DTXSID
DTXSID50998120- UNII
- X7ZW8Y55ZE
- Nikkaji
- J2.633.363F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 177 · 177-179 °C
- Density
- 1.431 · 1.431±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.04 · 2.04 (pKa1)(Temp: 25 °C; Solvent: Methanol; Water (80:20))
Chemistry & industry
Suppliers2 total
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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