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

C13H15N3O — CID 121205918

IUPAC3-(3-phenylpropylamino)-1H-pyridazin-6-one
SMILESO=c1ccc(NCCCc2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c17-13-9-8-12(15-16-13)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,14,15)(H,16,17)
InChIKeyLOERRIDWXXYBNM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.81
Rot. Bonds5

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

3-(3-phenylpropylamino)-1H-pyridazin-6-one (PubChem CID 121205918) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-phenylpropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-phenylpropylamino)-1H-pyridazin-6-one
PubChem CID121205918
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(3-phenylpropylamino)-1H-pyridazin-6-one
SMILESO=c1ccc(NCCCc2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c17-13-9-8-12(15-16-13)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,14,15)(H,16,17)
InChIKeyLOERRIDWXXYBNM-UHFFFAOYSA-N
XLogP1.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethylamino)-1H-pyridazin-6-one
CID 71322666
3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
CID 121205903
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
3,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113044152
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081762

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-phenylpropylamino)-1H-pyridazin-6-one (CID 121205918) is 3-(3-phenylpropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-phenylpropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-phenylpropylamino)-1H-pyridazin-6-one is O=c1ccc(NCCCc2ccccc2)n[nH]1.
What is the InChIKey of 3-(3-phenylpropylamino)-1H-pyridazin-6-one?
The InChIKey is LOERRIDWXXYBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-9-8-12(15-16-13)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,14,15)(H,16,17).
What are the key properties of 3-(3-phenylpropylamino)-1H-pyridazin-6-one?
3-(3-phenylpropylamino)-1H-pyridazin-6-one has a molecular weight of 229.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 121205918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).