2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one

C15H22ClN3O — CID 106177595

IUPAC2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCCC2=CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H22ClN3O/c1-2-3-10-19-15(20)14(16)13(11-18-19)17-9-8-12-6-4-5-7-12/h6,11,17H,2-5,7-10H2,1H3
InChIKeyXJQFFEGHTMVXGO-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.61
Rot. Bonds7

About 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one

2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one (PubChem CID 106177595) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one
PubChem CID106177595
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCCC2=CCCC2)c(Cl)c1=O
InChIInChI=1S/C15H22ClN3O/c1-2-3-10-19-15(20)14(16)13(11-18-19)17-9-8-12-6-4-5-7-12/h6,11,17H,2-5,7-10H2,1H3
InChIKeyXJQFFEGHTMVXGO-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103844265
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
4-chloro-2-(2-methoxyethyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107488362
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one (CID 106177595) is 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one is CCCCn1ncc(NCCC2=CCCC2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one?
The InChIKey is XJQFFEGHTMVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-3-10-19-15(20)14(16)13(11-18-19)17-9-8-12-6-4-5-7-12/h6,11,17H,2-5,7-10H2,1H3.
What are the key properties of 2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one?
2-butyl-4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]pyridazin-3-one has a molecular weight of 295.81 g/mol, XLogP of 3.61, 7 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-(cyclopenten-1-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 106177595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).