5-(butylamino)-4-chloro-2-methylpyridazin-3-one

C9H14ClN3O — CID 47174299

IUPAC5-(butylamino)-4-chloro-2-methylpyridazin-3-one
SMILESCCCCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-4-5-11-7-6-12-13(2)9(14)8(7)10/h6,11H,3-5H2,1-2H3
InChIKeyWGIBXWUPDVOREE-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.65
Rot. Bonds4

About 5-(butylamino)-4-chloro-2-methylpyridazin-3-one

5-(butylamino)-4-chloro-2-methylpyridazin-3-one (PubChem CID 47174299) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(butylamino)-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(butylamino)-4-chloro-2-methylpyridazin-3-one
PubChem CID47174299
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-(butylamino)-4-chloro-2-methylpyridazin-3-one
SMILESCCCCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-4-5-11-7-6-12-13(2)9(14)8(7)10/h6,11H,3-5H2,1-2H3
InChIKeyWGIBXWUPDVOREE-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(butylamino)-4-chloro-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-(butylamino)-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-(butylamino)-4-chloro-2-methylpyridazin-3-one (CID 47174299) is 5-(butylamino)-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(butylamino)-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-(butylamino)-4-chloro-2-methylpyridazin-3-one is CCCCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 5-(butylamino)-4-chloro-2-methylpyridazin-3-one?
The InChIKey is WGIBXWUPDVOREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-4-5-11-7-6-12-13(2)9(14)8(7)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 5-(butylamino)-4-chloro-2-methylpyridazin-3-one?
5-(butylamino)-4-chloro-2-methylpyridazin-3-one has a molecular weight of 215.68 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 47174299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).