3-chloro-6-(2-methylimidazol-1-yl)pyridazine

C8H7ClN4 — CID 12698872

IUPAC3-chloro-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C8H7ClN4/c1-6-10-4-5-13(6)8-3-2-7(9)11-12-8/h2-5H,1H3
InChIKeyWGTWDBZNRRDAFS-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.62
Rot. Bonds1

About 3-chloro-6-(2-methylimidazol-1-yl)pyridazine

3-chloro-6-(2-methylimidazol-1-yl)pyridazine (PubChem CID 12698872) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-chloro-6-(2-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-methylimidazol-1-yl)pyridazine
PubChem CID12698872
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name3-chloro-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C8H7ClN4/c1-6-10-4-5-13(6)8-3-2-7(9)11-12-8/h2-5H,1H3
InChIKeyWGTWDBZNRRDAFS-UHFFFAOYSA-N
XLogP1.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-(2-methylimidazol-1-yl)pyridazine 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-(2-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(2-methylimidazol-1-yl)pyridazine (CID 12698872) is 3-chloro-6-(2-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(2-methylimidazol-1-yl)pyridazine is Cc1nccn1-c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2-methylimidazol-1-yl)pyridazine?
The InChIKey is WGTWDBZNRRDAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-6-10-4-5-13(6)8-3-2-7(9)11-12-8/h2-5H,1H3.
What are the key properties of 3-chloro-6-(2-methylimidazol-1-yl)pyridazine?
3-chloro-6-(2-methylimidazol-1-yl)pyridazine has a molecular weight of 194.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 12698872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).