3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C18H18N2O — CID 3687480

IUPAC3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C18H18N2O/c1-12-3-7-14(8-4-12)16-11-17(19-20-18(16)21)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3,(H,20,21)
InChIKeyHTHJSQRGCASRSN-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.31
Rot. Bonds2

About 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 3687480) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID3687480
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C18H18N2O/c1-12-3-7-14(8-4-12)16-11-17(19-20-18(16)21)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3,(H,20,21)
InChIKeyHTHJSQRGCASRSN-UHFFFAOYSA-N
XLogP3.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 3687480) is 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is Cc1ccc(C2=NNC(=O)C(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HTHJSQRGCASRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-3-7-14(8-4-12)16-11-17(19-20-18(16)21)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3,(H,20,21).
What are the key properties of 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 278.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 3687480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).