N-(6-chloropyridazin-3-yl)formamide

C5H4ClN3O — CID 12924250

IUPACN-(6-chloropyridazin-3-yl)formamide
SMILESO=CNc1ccc(Cl)nn1
InChIInChI=1S/C5H4ClN3O/c6-4-1-2-5(7-3-10)9-8-4/h1-3H,(H,7,9,10)
InChIKeyHGOVEVHLUZPJQP-UHFFFAOYSA-N
MW157.56 g/mol
LogP0.70
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)formamide

N-(6-chloropyridazin-3-yl)formamide (PubChem CID 12924250) has the molecular formula C5H4ClN3O and a molecular weight of 157.56 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)formamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)formamide
PubChem CID12924250
Molecular FormulaC5H4ClN3O
Molecular Weight157.56 g/mol
Exact Mass157.00
IUPAC NameN-(6-chloropyridazin-3-yl)formamide
SMILESO=CNc1ccc(Cl)nn1
InChIInChI=1S/C5H4ClN3O/c6-4-1-2-5(7-3-10)9-8-4/h1-3H,(H,7,9,10)
InChIKeyHGOVEVHLUZPJQP-UHFFFAOYSA-N
XLogP0.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.56
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(6-chloropyridazin-3-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)formamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)formamide (CID 12924250) is N-(6-chloropyridazin-3-yl)formamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)formamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)formamide is O=CNc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)formamide?
The InChIKey is HGOVEVHLUZPJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O/c6-4-1-2-5(7-3-10)9-8-4/h1-3H,(H,7,9,10).
What are the key properties of N-(6-chloropyridazin-3-yl)formamide?
N-(6-chloropyridazin-3-yl)formamide has a molecular weight of 157.56 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)formamide is sourced from PubChem (CID 12924250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).