3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one

C14H19N3O — CID 142200993

IUPAC3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCC1CC(=O)NN=C1c1cccc(N)c1
InChIInChI=1S/C14H19N3O/c1-2-3-5-11-9-13(18)16-17-14(11)10-6-4-7-12(15)8-10/h4,6-8,11H,2-3,5,9,15H2,1H3,(H,16,18)
InChIKeyVGJYSXVWJMNNOH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.30
Rot. Bonds4

About 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one

3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 142200993) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID142200993
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCCC1CC(=O)NN=C1c1cccc(N)c1
InChIInChI=1S/C14H19N3O/c1-2-3-5-11-9-13(18)16-17-14(11)10-6-4-7-12(15)8-10/h4,6-8,11H,2-3,5,9,15H2,1H3,(H,16,18)
InChIKeyVGJYSXVWJMNNOH-UHFFFAOYSA-N
XLogP2.30
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one (CID 142200993) is 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one is CCCCC1CC(=O)NN=C1c1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VGJYSXVWJMNNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-5-11-9-13(18)16-17-14(11)10-6-4-7-12(15)8-10/h4,6-8,11H,2-3,5,9,15H2,1H3,(H,16,18).
What are the key properties of 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one?
3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 245.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-4-butyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 142200993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).