5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one

C15H25ClN4O — CID 106738332

IUPAC5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(CN)C2CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19-12(7-17)11-5-3-4-6-11/h8,10-12,19H,3-7,9,17H2,1-2H3
InChIKeyFPXQLZAVGHUHCI-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.48
Rot. Bonds6

About 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one

5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 106738332) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
PubChem CID106738332
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC(CN)C2CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19-12(7-17)11-5-3-4-6-11/h8,10-12,19H,3-7,9,17H2,1-2H3
InChIKeyFPXQLZAVGHUHCI-UHFFFAOYSA-N
XLogP2.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114445903
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438260
2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816
5-[(2-amino-1-cyclohexylethyl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114446840
4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439073
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one (CID 106738332) is 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NC(CN)C2CCCC2)c(Cl)c1=O.
What is the InChIKey of 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is FPXQLZAVGHUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19-12(7-17)11-5-3-4-6-11/h8,10-12,19H,3-7,9,17H2,1-2H3.
What are the key properties of 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 106738332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).