Pyrimidine-4-carbohydrazide

HCID 468664

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Basic information

CAS: 39513-54-7
Standard SMILES: NNC(=O)c1ccncn1
InChIKey: NWTQBXDLKZTWAH-UHFFFAOYSA-N
Molecular formula: C5H6N4O
Average molar mass: 138.13 g/mol
Monoisotopic mass: 138.05416083

Names & identifiers

Preferred name: Pyrimidine-4-carbohydrazide
IUPAC: pyrimidine-4-carbohydrazide
English name: PYRIMIDINE-4-CARBOXYLIC ACID HYDRAZIDE
Molecular formula: C5H6N4O
Molecular weight: 138.13

Names & synonyms

pyrimidine-4-carbohydrazide39513-54-7DTXSID30332841RefChem:377693DTXCID20283934Pyrimidine-4-carboxylic acid hydrazideMFCD067388624-pyrimidinecarbohydrazide4-Pyrimidinecarboxylic Acid Hydrazide4-PYRIMIDINECARBOXYLIC ACID, HYDRAZIDEpyrimidine-6-carbohydrazideSCHEMBL107554

Show more names

4-Pyrimidinecarboxylic acid, hydrazide (6CI,9CI)

CHEMBL121865SCHEMBL31627592NWTQBXDLKZTWAH-UHFFFAOYSA-NBDBM246859AKOS006294124AB28062CS-W022945NP57376

Database identifiers

CAS: 39513-54-7
PubChem CID: 468664
DTXSID: DTXSID30332841
ChEMBL: CHEMBL121865

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 80.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 148 · 148-150 °C
Density: 1.335 · 1.335±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.04 · 10.04±0.10(Predicted)
Appearance: Off-white to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501