3-(6-chloropyridazin-3-yl)benzene-1,2-diamine

C10H9ClN4 — CID 146172996

IUPAC3-(6-chloropyridazin-3-yl)benzene-1,2-diamine
SMILESNc1cccc(-c2ccc(Cl)nn2)c1N
InChIInChI=1S/C10H9ClN4/c11-9-5-4-8(14-15-9)6-2-1-3-7(12)10(6)13/h1-5H,12-13H2
InChIKeyJXLCGOQKBPDUOR-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.96
Rot. Bonds1

About 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine

3-(6-chloropyridazin-3-yl)benzene-1,2-diamine (PubChem CID 146172996) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)benzene-1,2-diamine
PubChem CID146172996
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name3-(6-chloropyridazin-3-yl)benzene-1,2-diamine
SMILESNc1cccc(-c2ccc(Cl)nn2)c1N
InChIInChI=1S/C10H9ClN4/c11-9-5-4-8(14-15-9)6-2-1-3-7(12)10(6)13/h1-5H,12-13H2
InChIKeyJXLCGOQKBPDUOR-UHFFFAOYSA-N
XLogP1.96
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine 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 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine?
The IUPAC name of 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine (CID 146172996) is 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine is Nc1cccc(-c2ccc(Cl)nn2)c1N.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine?
The InChIKey is JXLCGOQKBPDUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c11-9-5-4-8(14-15-9)6-2-1-3-7(12)10(6)13/h1-5H,12-13H2.
What are the key properties of 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine?
3-(6-chloropyridazin-3-yl)benzene-1,2-diamine has a molecular weight of 220.66 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 146172996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).