5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one

C15H23ClN4O — CID 114445095

IUPAC5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one
SMILESCN(c1c(Cl)cnn(CC2CCC2)c1=O)C1CCCNC1
InChIInChI=1S/C15H23ClN4O/c1-19(12-6-3-7-17-8-12)14-13(16)9-18-20(15(14)21)10-11-4-2-5-11/h9,11-12,17H,2-8,10H2,1H3
InChIKeyLYOZKOCUJFKPBY-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one (PubChem CID 114445095) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one
PubChem CID114445095
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one
SMILESCN(c1c(Cl)cnn(CC2CCC2)c1=O)C1CCCNC1
InChIInChI=1S/C15H23ClN4O/c1-19(12-6-3-7-17-8-12)14-13(16)9-18-20(15(14)21)10-11-4-2-5-11/h9,11-12,17H,2-8,10H2,1H3
InChIKeyLYOZKOCUJFKPBY-UHFFFAOYSA-N
XLogP1.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one 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

4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445107
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445081
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443921
4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
CID 114445120
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-piperidin-3-ylethanone
CID 114668929
5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191871
5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440143
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444942
5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
CID 70892352
5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
CID 114395972
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one (CID 114445095) is 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one is CN(c1c(Cl)cnn(CC2CCC2)c1=O)C1CCCNC1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is LYOZKOCUJFKPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-19(12-6-3-7-17-8-12)14-13(16)9-18-20(15(14)21)10-11-4-2-5-11/h9,11-12,17H,2-8,10H2,1H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 310.83 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114445095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).