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

C15H24ClN3O — CID 114440133

IUPAC2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCCC2(C)C)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-4-5-9-19-14(20)13(16)11(10-17-19)18-12-7-6-8-15(12,2)3/h10,12,18H,4-9H2,1-3H3
InChIKeyANDLJQKEVRXDEV-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.69
Rot. Bonds5

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

2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one (PubChem CID 114440133) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
PubChem CID114440133
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCCC2(C)C)c(Cl)c1=O
InChIInChI=1S/C15H24ClN3O/c1-4-5-9-19-14(20)13(16)11(10-17-19)18-12-7-6-8-15(12,2)3/h10,12,18H,4-9H2,1-3H3
InChIKeyANDLJQKEVRXDEV-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114440175
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041
2-butyl-4-chloro-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438991
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
CID 114439041
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one
CID 114436613

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one (CID 114440133) is 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one is CCCCn1ncc(NC2CCCC2(C)C)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
The InChIKey is ANDLJQKEVRXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-5-9-19-14(20)13(16)11(10-17-19)18-12-7-6-8-15(12,2)3/h10,12,18H,4-9H2,1-3H3.
What are the key properties of 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one is sourced from PubChem (CID 114440133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).