5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one

C17H14N2O2 — CID 54677994

IUPAC5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one
SMILESCn1nc(-c2ccccc2)c(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-19-17(21)14(12-8-4-2-5-9-12)16(20)15(18-19)13-10-6-3-7-11-13/h2-11,20H,1H3
InChIKeyUTSRITLXSODBJM-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.82
Rot. Bonds2

About 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one

5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one (PubChem CID 54677994) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one
PubChem CID54677994
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one
SMILESCn1nc(-c2ccccc2)c(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-19-17(21)14(12-8-4-2-5-9-12)16(20)15(18-19)13-10-6-3-7-11-13/h2-11,20H,1H3
InChIKeyUTSRITLXSODBJM-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one (CID 54677994) is 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one is Cn1nc(-c2ccccc2)c(O)c(-c2ccccc2)c1=O.
What is the InChIKey of 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one?
The InChIKey is UTSRITLXSODBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19-17(21)14(12-8-4-2-5-9-12)16(20)15(18-19)13-10-6-3-7-11-13/h2-11,20H,1H3.
What are the key properties of 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one?
5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one has a molecular weight of 278.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one is sourced from PubChem (CID 54677994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).