6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide

C10H14ClN3O — CID 16733786

IUPAC6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c1-7(2)5-6-12-10(15)8-3-4-9(11)14-13-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)
InChIKeyKQBDDYSEVSDDMV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.91
Rot. Bonds4

About 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide

6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 16733786) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID16733786
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c1-7(2)5-6-12-10(15)8-3-4-9(11)14-13-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)
InChIKeyKQBDDYSEVSDDMV-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide 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 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 16733786) is 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is KQBDDYSEVSDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(2)5-6-12-10(15)8-3-4-9(11)14-13-8/h3-4,7H,5-6H2,1-2H3,(H,12,15).
What are the key properties of 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 16733786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).