4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one

C13H22ClN3O2 — CID 106136715

IUPAC4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCCC(C)O)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-9(2)8-17-13(19)12(14)11(7-16-17)15-6-4-5-10(3)18/h7,9-10,15,18H,4-6,8H2,1-3H3
InChIKeyCAESYCIWAOVEMH-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.13
Rot. Bonds7

About 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 106136715) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID106136715
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCCC(C)O)c(Cl)c1=O
InChIInChI=1S/C13H22ClN3O2/c1-9(2)8-17-13(19)12(14)11(7-16-17)15-6-4-5-10(3)18/h7,9-10,15,18H,4-6,8H2,1-3H3
InChIKeyCAESYCIWAOVEMH-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
methyl 2-[5-chloro-4-(4-hydroxypentylamino)-6-oxopyridazin-1-yl]acetate
CID 106136759
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434114
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
CID 114440676
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114432842

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 106136715) is 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCCCC(C)O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is CAESYCIWAOVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-9(2)8-17-13(19)12(14)11(7-16-17)15-6-4-5-10(3)18/h7,9-10,15,18H,4-6,8H2,1-3H3.
What are the key properties of 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 287.79 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 106136715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).