6-chloropyridazine-3-carbohydrazide

C5H5ClN4O — CID 10080848

IUPAC6-chloropyridazine-3-carbohydrazide
SMILESNNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C5H5ClN4O/c6-4-2-1-3(9-10-4)5(11)8-7/h1-2H,7H2,(H,8,11)
InChIKeyYGHSTGRZVOFSSG-UHFFFAOYSA-N
MW172.58 g/mol
LogP-0.27
Rot. Bonds1

About 6-chloropyridazine-3-carbohydrazide

6-chloropyridazine-3-carbohydrazide (PubChem CID 10080848) has the molecular formula C5H5ClN4O and a molecular weight of 172.58 g/mol. Its IUPAC name is 6-chloropyridazine-3-carbohydrazide.

Molecular Properties

Compound Name6-chloropyridazine-3-carbohydrazide
PubChem CID10080848
Molecular FormulaC5H5ClN4O
Molecular Weight172.58 g/mol
Exact Mass172.02
IUPAC Name6-chloropyridazine-3-carbohydrazide
SMILESNNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C5H5ClN4O/c6-4-2-1-3(9-10-4)5(11)8-7/h1-2H,7H2,(H,8,11)
InChIKeyYGHSTGRZVOFSSG-UHFFFAOYSA-N
XLogP-0.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.58
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide
CID 106276043
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
CID 107865144
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
1-(6-chloropyridazin-3-yl)ethanone
CID 46835648
(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 114037303
6-chloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 61237341
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
CID 106140440
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazine-3-carbohydrazide?
The IUPAC name of 6-chloropyridazine-3-carbohydrazide (CID 10080848) is 6-chloropyridazine-3-carbohydrazide.
What is the SMILES notation for 6-chloropyridazine-3-carbohydrazide?
The canonical SMILES for 6-chloropyridazine-3-carbohydrazide is NNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloropyridazine-3-carbohydrazide?
The InChIKey is YGHSTGRZVOFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O/c6-4-2-1-3(9-10-4)5(11)8-7/h1-2H,7H2,(H,8,11).
What are the key properties of 6-chloropyridazine-3-carbohydrazide?
6-chloropyridazine-3-carbohydrazide has a molecular weight of 172.58 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridazine-3-carbohydrazide is sourced from PubChem (CID 10080848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).