6-chloro-6-methyl-1H-pyridazine

C5H7ClN2 — CID 150907921

IUPAC6-chloro-6-methyl-1H-pyridazine
SMILESCC1(Cl)C=CC=NN1
InChIInChI=1S/C5H7ClN2/c1-5(6)3-2-4-7-8-5/h2-4,8H,1H3
InChIKeyLBJKMQAGWJLGLN-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.09
Rot. Bonds

About 6-chloro-6-methyl-1H-pyridazine

6-chloro-6-methyl-1H-pyridazine (PubChem CID 150907921) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 6-chloro-6-methyl-1H-pyridazine.

Molecular Properties

Compound Name6-chloro-6-methyl-1H-pyridazine
PubChem CID150907921
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name6-chloro-6-methyl-1H-pyridazine
SMILESCC1(Cl)C=CC=NN1
InChIInChI=1S/C5H7ClN2/c1-5(6)3-2-4-7-8-5/h2-4,8H,1H3
InChIKeyLBJKMQAGWJLGLN-UHFFFAOYSA-N
XLogP1.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-chloro-6-methyl-1H-pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethylpyrrole;ruthenium
CID 174567335
lithium;2,2-dimethylpyrrole;hydride
CID 174540828
2-chloro-2,6-dimethyl-1H-pyridine
CID 66825846
2,2,5,5-tetramethylazocine
CID 123550534
3-bromo-3-chloro-2H-pyridine
CID 66986332
5,5-dimethyl-1,4-dihydropyrazole
CID 557772
7,7-dimethyl-1H-1,3-diazepine-2-thione
CID 163791705
3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine
CID 141225360
3-methyl-2H-pyridine-3-carbonitrile;hydrochloride
CID 156700989
2-(2-methylpyrrol-2-yl)acetic acid
CID 21188403
2-chloro-1-iodo-2-methylpyridine
CID 174280851
5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole
CID 70123824

Frequently Asked Questions

What is the IUPAC name of 6-chloro-6-methyl-1H-pyridazine?
The IUPAC name of 6-chloro-6-methyl-1H-pyridazine (CID 150907921) is 6-chloro-6-methyl-1H-pyridazine.
What is the SMILES notation for 6-chloro-6-methyl-1H-pyridazine?
The canonical SMILES for 6-chloro-6-methyl-1H-pyridazine is CC1(Cl)C=CC=NN1.
What is the InChIKey of 6-chloro-6-methyl-1H-pyridazine?
The InChIKey is LBJKMQAGWJLGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-5(6)3-2-4-7-8-5/h2-4,8H,1H3.
What are the key properties of 6-chloro-6-methyl-1H-pyridazine?
6-chloro-6-methyl-1H-pyridazine has a molecular weight of 130.58 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-6-methyl-1H-pyridazine is sourced from PubChem (CID 150907921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).