6-chloro-N-ethylpyridazine-3-carboxamide

C7H8ClN3O — CID 60859181

IUPAC6-chloro-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C7H8ClN3O/c1-2-9-7(12)5-3-4-6(8)11-10-5/h3-4H,2H2,1H3,(H,9,12)
InChIKeyZDSUIAKOLYRNLN-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.88
Rot. Bonds2

About 6-chloro-N-ethylpyridazine-3-carboxamide

6-chloro-N-ethylpyridazine-3-carboxamide (PubChem CID 60859181) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 6-chloro-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethylpyridazine-3-carboxamide
PubChem CID60859181
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name6-chloro-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C7H8ClN3O/c1-2-9-7(12)5-3-4-6(8)11-10-5/h3-4H,2H2,1H3,(H,9,12)
InChIKeyZDSUIAKOLYRNLN-UHFFFAOYSA-N
XLogP0.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-ethylpyridazine-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-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethylpyridazine-3-carboxamide (CID 60859181) is 6-chloro-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethylpyridazine-3-carboxamide is CCNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-ethylpyridazine-3-carboxamide?
The InChIKey is ZDSUIAKOLYRNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-2-9-7(12)5-3-4-6(8)11-10-5/h3-4H,2H2,1H3,(H,9,12).
What are the key properties of 6-chloro-N-ethylpyridazine-3-carboxamide?
6-chloro-N-ethylpyridazine-3-carboxamide has a molecular weight of 185.61 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 60859181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).