2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one

C14H22ClN3O — CID 114433066

IUPAC2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCC2CCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O/c1-2-3-8-18-14(19)13(15)12(10-17-18)16-9-11-6-4-5-7-11/h10-11,16H,2-9H2,1H3
InChIKeyJWXWHDFCKNOGSG-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.30
Rot. Bonds6

About 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one

2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one (PubChem CID 114433066) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
PubChem CID114433066
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCC2CCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O/c1-2-3-8-18-14(19)13(15)12(10-17-18)16-9-11-6-4-5-7-11/h10-11,16H,2-9H2,1H3
InChIKeyJWXWHDFCKNOGSG-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
2-butyl-4-chloro-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436083
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
4-chloro-2-propyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446541
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
CID 114433679

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one (CID 114433066) is 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one is CCCCn1ncc(NCC2CCCC2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one?
The InChIKey is JWXWHDFCKNOGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-3-8-18-14(19)13(15)12(10-17-18)16-9-11-6-4-5-7-11/h10-11,16H,2-9H2,1H3.
What are the key properties of 2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one?
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one has a molecular weight of 283.80 g/mol, XLogP of 3.30, 6 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-(cyclopentylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114433066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).