3-(butylamino)-1H-pyridazin-6-one

C8H13N3O — CID 13274966

IUPAC3-(butylamino)-1H-pyridazin-6-one
SMILESCCCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O/c1-2-3-6-9-7-4-5-8(12)11-10-7/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12)
InChIKeyDUQPUKHWGKSPME-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds4

About 3-(butylamino)-1H-pyridazin-6-one

3-(butylamino)-1H-pyridazin-6-one (PubChem CID 13274966) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(butylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(butylamino)-1H-pyridazin-6-one
PubChem CID13274966
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(butylamino)-1H-pyridazin-6-one
SMILESCCCCNc1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O/c1-2-3-6-9-7-4-5-8(12)11-10-7/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12)
InChIKeyDUQPUKHWGKSPME-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(butylamino)-1H-pyridazin-6-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 3-(butylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(butylamino)-1H-pyridazin-6-one (CID 13274966) is 3-(butylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(butylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(butylamino)-1H-pyridazin-6-one is CCCCNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(butylamino)-1H-pyridazin-6-one?
The InChIKey is DUQPUKHWGKSPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-6-9-7-4-5-8(12)11-10-7/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-(butylamino)-1H-pyridazin-6-one?
3-(butylamino)-1H-pyridazin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 13274966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).