2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one

C13H18N4O3 — CID 31095761

IUPAC2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCNC(=O)C2)ccc1=O
InChIInChI=1S/C13H18N4O3/c1-2-3-7-17-12(19)5-4-10(15-17)13(20)16-8-6-14-11(18)9-16/h4-5H,2-3,6-9H2,1H3,(H,14,18)
InChIKeyABYRWVSDDAUFDV-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.38
Rot. Bonds4

About 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one

2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 31095761) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one
PubChem CID31095761
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCNC(=O)C2)ccc1=O
InChIInChI=1S/C13H18N4O3/c1-2-3-7-17-12(19)5-4-10(15-17)13(20)16-8-6-14-11(18)9-16/h4-5H,2-3,6-9H2,1H3,(H,14,18)
InChIKeyABYRWVSDDAUFDV-UHFFFAOYSA-N
XLogP-0.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-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 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one (CID 31095761) is 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one is CCCCn1nc(C(=O)N2CCNC(=O)C2)ccc1=O.
What is the InChIKey of 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is ABYRWVSDDAUFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-3-7-17-12(19)5-4-10(15-17)13(20)16-8-6-14-11(18)9-16/h4-5H,2-3,6-9H2,1H3,(H,14,18).
What are the key properties of 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one?
2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 278.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 31095761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).