4-(methylamino)-1H-pyridazin-6-one;hydrochloride

C5H8ClN3O — CID 56828063

IUPAC4-(methylamino)-1H-pyridazin-6-one;hydrochloride
SMILESCNc1cn[nH]c(=O)c1.Cl
InChIInChI=1S/C5H7N3O.ClH/c1-6-4-2-5(9)8-7-3-4;/h2-3H,1H3,(H2,6,8,9);1H
InChIKeyCQYGJBICWUHTRC-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.23
Rot. Bonds1

About 4-(methylamino)-1H-pyridazin-6-one;hydrochloride

4-(methylamino)-1H-pyridazin-6-one;hydrochloride (PubChem CID 56828063) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 4-(methylamino)-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-1H-pyridazin-6-one;hydrochloride
PubChem CID56828063
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name4-(methylamino)-1H-pyridazin-6-one;hydrochloride
SMILESCNc1cn[nH]c(=O)c1.Cl
InChIInChI=1S/C5H7N3O.ClH/c1-6-4-2-5(9)8-7-3-4;/h2-3H,1H3,(H2,6,8,9);1H
InChIKeyCQYGJBICWUHTRC-UHFFFAOYSA-N
XLogP0.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(methylamino)-1H-pyridazin-6-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 4-(methylamino)-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 4-(methylamino)-1H-pyridazin-6-one;hydrochloride (CID 56828063) is 4-(methylamino)-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 4-(methylamino)-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 4-(methylamino)-1H-pyridazin-6-one;hydrochloride is CNc1cn[nH]c(=O)c1.Cl.
What is the InChIKey of 4-(methylamino)-1H-pyridazin-6-one;hydrochloride?
The InChIKey is CQYGJBICWUHTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.ClH/c1-6-4-2-5(9)8-7-3-4;/h2-3H,1H3,(H2,6,8,9);1H.
What are the key properties of 4-(methylamino)-1H-pyridazin-6-one;hydrochloride?
4-(methylamino)-1H-pyridazin-6-one;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 56828063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).