2-methylpyridazin-3-one;hydrochloride

C5H7ClN2O — CID 23018228

IUPAC2-methylpyridazin-3-one;hydrochloride
SMILESCl.Cn1ncccc1=O
InChIInChI=1S/C5H6N2O.ClH/c1-7-5(8)3-2-4-6-7;/h2-4H,1H3;1H
InChIKeyPWNHONNVSIDLEK-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.20
Rot. Bonds

About 2-methylpyridazin-3-one;hydrochloride

2-methylpyridazin-3-one;hydrochloride (PubChem CID 23018228) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 2-methylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-methylpyridazin-3-one;hydrochloride
PubChem CID23018228
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name2-methylpyridazin-3-one;hydrochloride
SMILESCl.Cn1ncccc1=O
InChIInChI=1S/C5H6N2O.ClH/c1-7-5(8)3-2-4-6-7;/h2-4H,1H3;1H
InChIKeyPWNHONNVSIDLEK-UHFFFAOYSA-N
XLogP0.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpyridazin-3-one;hydrochloride 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 2-methylpyridazin-3-one;hydrochloride?
The IUPAC name of 2-methylpyridazin-3-one;hydrochloride (CID 23018228) is 2-methylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-methylpyridazin-3-one;hydrochloride?
The canonical SMILES for 2-methylpyridazin-3-one;hydrochloride is Cl.Cn1ncccc1=O.
What is the InChIKey of 2-methylpyridazin-3-one;hydrochloride?
The InChIKey is PWNHONNVSIDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c1-7-5(8)3-2-4-6-7;/h2-4H,1H3;1H.
What are the key properties of 2-methylpyridazin-3-one;hydrochloride?
2-methylpyridazin-3-one;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 23018228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).