3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one

C19H18N2O — CID 18440180

IUPAC3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2ccc(=O)[nH]n2)cc1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-7-8-16(13-18-9-10-19(22)21-20-18)12-17(14)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyNUJRZZPVLWUODH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.26
Rot. Bonds4

About 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one

3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 18440180) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
PubChem CID18440180
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2ccc(=O)[nH]n2)cc1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-7-8-16(13-18-9-10-19(22)21-20-18)12-17(14)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyNUJRZZPVLWUODH-UHFFFAOYSA-N
XLogP3.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one (CID 18440180) is 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one is Cc1ccc(Cc2ccc(=O)[nH]n2)cc1Cc1ccccc1.
What is the InChIKey of 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is NUJRZZPVLWUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-7-8-16(13-18-9-10-19(22)21-20-18)12-17(14)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,21,22).
What are the key properties of 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one?
3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 290.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 18440180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).