5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one

C20H36N2O — CID 5461509

IUPAC5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one
SMILESCCCCc1cc(=O)n(C)nc1C(C)C(CCCC)CCCC
InChIInChI=1S/C20H36N2O/c1-6-9-12-17(13-10-7-2)16(4)20-18(14-11-8-3)15-19(23)22(5)21-20/h15-17H,6-14H2,1-5H3
InChIKeyREDLYADCHZASSA-UHFFFAOYSA-N
MW320.52 g/mol
LogP5.22
Rot. Bonds11

About 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one

5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one (PubChem CID 5461509) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one
PubChem CID5461509
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one
SMILESCCCCc1cc(=O)n(C)nc1C(C)C(CCCC)CCCC
InChIInChI=1S/C20H36N2O/c1-6-9-12-17(13-10-7-2)16(4)20-18(14-11-8-3)15-19(23)22(5)21-20/h15-17H,6-14H2,1-5H3
InChIKeyREDLYADCHZASSA-UHFFFAOYSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one?
The IUPAC name of 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one (CID 5461509) is 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one is CCCCc1cc(=O)n(C)nc1C(C)C(CCCC)CCCC.
What is the InChIKey of 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one?
The InChIKey is REDLYADCHZASSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-6-9-12-17(13-10-7-2)16(4)20-18(14-11-8-3)15-19(23)22(5)21-20/h15-17H,6-14H2,1-5H3.
What are the key properties of 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one?
5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one has a molecular weight of 320.52 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-(3-butylheptan-2-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 5461509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).