6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one

C18H19N3O — CID 69456622

IUPAC6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(Cc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C18H19N3O/c1-13-4-2-3-5-17(13)21-18(22)11-10-16(20-21)12-14-6-8-15(19)9-7-14/h2-9H,10-12,19H2,1H3
InChIKeyKEPAAUJYILQWRR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.30
Rot. Bonds3

About 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one

6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 69456622) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
PubChem CID69456622
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(Cc2ccc(N)cc2)CCC1=O
InChIInChI=1S/C18H19N3O/c1-13-4-2-3-5-17(13)21-18(22)11-10-16(20-21)12-14-6-8-15(19)9-7-14/h2-9H,10-12,19H2,1H3
InChIKeyKEPAAUJYILQWRR-UHFFFAOYSA-N
XLogP3.30
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one (CID 69456622) is 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1ccccc1N1N=C(Cc2ccc(N)cc2)CCC1=O.
What is the InChIKey of 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is KEPAAUJYILQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-4-2-3-5-17(13)21-18(22)11-10-16(20-21)12-14-6-8-15(19)9-7-14/h2-9H,10-12,19H2,1H3.
What are the key properties of 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 293.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 69456622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).