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

C16H26ClN3O — CID 114439041

IUPAC2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCC(C)C(C)C2)c(Cl)c1=O
InChIInChI=1S/C16H26ClN3O/c1-4-5-8-20-16(21)15(17)14(10-18-20)19-13-7-6-11(2)12(3)9-13/h10-13,19H,4-9H2,1-3H3
InChIKeyFYHTTZYDRMVQAJ-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.93
Rot. Bonds5

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

2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one (PubChem CID 114439041) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
PubChem CID114439041
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCC(C)C(C)C2)c(Cl)c1=O
InChIInChI=1S/C16H26ClN3O/c1-4-5-8-20-16(21)15(17)14(10-18-20)19-13-7-6-11(2)12(3)9-13/h10-13,19H,4-9H2,1-3H3
InChIKeyFYHTTZYDRMVQAJ-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
2-butyl-4-chloro-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438991
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
CID 114433679
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
4-bromo-5-[(3,4-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439049
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one (CID 114439041) is 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one is CCCCn1ncc(NC2CCC(C)C(C)C2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one?
The InChIKey is FYHTTZYDRMVQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-5-8-20-16(21)15(17)14(10-18-20)19-13-7-6-11(2)12(3)9-13/h10-13,19H,4-9H2,1-3H3.
What are the key properties of 2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one has a molecular weight of 311.86 g/mol, XLogP of 3.93, 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-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one is sourced from PubChem (CID 114439041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).