5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one

C16H24ClN3O — CID 114440143

IUPAC5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
SMILESCC1(C)CCCC1Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C16H24ClN3O/c1-16(2)8-4-7-13(16)19-14-12(17)9-18-20(15(14)21)10-11-5-3-6-11/h9,11,13,19H,3-8,10H2,1-2H3
InChIKeyWHNFLRLMCKRINU-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.69
Rot. Bonds4

About 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one (PubChem CID 114440143) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
PubChem CID114440143
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
SMILESCC1(C)CCCC1Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C16H24ClN3O/c1-16(2)8-4-7-13(16)19-14-12(17)9-18-20(15(14)21)10-11-5-3-6-11/h9,11,13,19H,3-8,10H2,1-2H3
InChIKeyWHNFLRLMCKRINU-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one (CID 114440143) is 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one is CC1(C)CCCC1Nc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
The InChIKey is WHNFLRLMCKRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-16(2)8-4-7-13(16)19-14-12(17)9-18-20(15(14)21)10-11-5-3-6-11/h9,11,13,19H,3-8,10H2,1-2H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one has a molecular weight of 309.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one is sourced from PubChem (CID 114440143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).