3-chloro-6-phenylpyridazine-4-carboxamide

C11H8ClN3O — CID 14450230

IUPAC3-chloro-6-phenylpyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C11H8ClN3O/c12-10-8(11(13)16)6-9(14-15-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)
InChIKeyVQIXQCYIFKCROQ-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.90
Rot. Bonds2

About 3-chloro-6-phenylpyridazine-4-carboxamide

3-chloro-6-phenylpyridazine-4-carboxamide (PubChem CID 14450230) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-chloro-6-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-6-phenylpyridazine-4-carboxamide
PubChem CID14450230
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name3-chloro-6-phenylpyridazine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C11H8ClN3O/c12-10-8(11(13)16)6-9(14-15-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)
InChIKeyVQIXQCYIFKCROQ-UHFFFAOYSA-N
XLogP1.90
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-phenylpyridazine-4-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 3-chloro-6-phenylpyridazine-4-carboxamide?
The IUPAC name of 3-chloro-6-phenylpyridazine-4-carboxamide (CID 14450230) is 3-chloro-6-phenylpyridazine-4-carboxamide.
What is the SMILES notation for 3-chloro-6-phenylpyridazine-4-carboxamide?
The canonical SMILES for 3-chloro-6-phenylpyridazine-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nnc1Cl.
What is the InChIKey of 3-chloro-6-phenylpyridazine-4-carboxamide?
The InChIKey is VQIXQCYIFKCROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-10-8(11(13)16)6-9(14-15-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16).
What are the key properties of 3-chloro-6-phenylpyridazine-4-carboxamide?
3-chloro-6-phenylpyridazine-4-carboxamide has a molecular weight of 233.66 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 14450230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).