4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one

C13H22ClN3O — CID 114440676

IUPAC4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
SMILESCCn1ncc(NCCCCC(C)C)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O/c1-4-17-13(18)12(14)11(9-16-17)15-8-6-5-7-10(2)3/h9-10,15H,4-8H2,1-3H3
InChIKeyOVTXQQYDGWWJBW-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.15
Rot. Bonds7

About 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one (PubChem CID 114440676) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
PubChem CID114440676
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
SMILESCCn1ncc(NCCCCC(C)C)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O/c1-4-17-13(18)12(14)11(9-16-17)15-8-6-5-7-10(2)3/h9-10,15H,4-8H2,1-3H3
InChIKeyOVTXQQYDGWWJBW-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
4-chloro-2-ethyl-5-(hex-5-ynylamino)pyridazin-3-one
CID 106214539
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-(3-methylbutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432239
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one (CID 114440676) is 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one is CCn1ncc(NCCCCC(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one?
The InChIKey is OVTXQQYDGWWJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-17-13(18)12(14)11(9-16-17)15-8-6-5-7-10(2)3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one has a molecular weight of 271.79 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one is sourced from PubChem (CID 114440676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).