6-amino-2-pentylpyridazin-3-one

C9H15N3O — CID 116788302

IUPAC6-amino-2-pentylpyridazin-3-one
SMILESCCCCCn1nc(N)ccc1=O
InChIInChI=1S/C9H15N3O/c1-2-3-4-7-12-9(13)6-5-8(10)11-12/h5-6H,2-4,7H2,1H3,(H2,10,11)
InChIKeyAOVHRFHNXBWIFD-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds4

About 6-amino-2-pentylpyridazin-3-one

6-amino-2-pentylpyridazin-3-one (PubChem CID 116788302) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-amino-2-pentylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-pentylpyridazin-3-one
PubChem CID116788302
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-amino-2-pentylpyridazin-3-one
SMILESCCCCCn1nc(N)ccc1=O
InChIInChI=1S/C9H15N3O/c1-2-3-4-7-12-9(13)6-5-8(10)11-12/h5-6H,2-4,7H2,1H3,(H2,10,11)
InChIKeyAOVHRFHNXBWIFD-UHFFFAOYSA-N
XLogP1.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-2-pentylpyridazin-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 6-amino-2-pentylpyridazin-3-one?
The IUPAC name of 6-amino-2-pentylpyridazin-3-one (CID 116788302) is 6-amino-2-pentylpyridazin-3-one.
What is the SMILES notation for 6-amino-2-pentylpyridazin-3-one?
The canonical SMILES for 6-amino-2-pentylpyridazin-3-one is CCCCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-pentylpyridazin-3-one?
The InChIKey is AOVHRFHNXBWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-7-12-9(13)6-5-8(10)11-12/h5-6H,2-4,7H2,1H3,(H2,10,11).
What are the key properties of 6-amino-2-pentylpyridazin-3-one?
6-amino-2-pentylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-pentylpyridazin-3-one is sourced from PubChem (CID 116788302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).