2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one

C24H20N2O2 — CID 12688574

IUPAC2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO
InChIInChI=1S/C24H20N2O2/c27-17-16-26-24(28)22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)23(25-26)20-14-8-3-9-15-20/h1-15,27H,16-17H2
InChIKeyKMKGLRBPIDMTJP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one

2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one (PubChem CID 12688574) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one
PubChem CID12688574
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO
InChIInChI=1S/C24H20N2O2/c27-17-16-26-24(28)22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)23(25-26)20-14-8-3-9-15-20/h1-15,27H,16-17H2
InChIKeyKMKGLRBPIDMTJP-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one (CID 12688574) is 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one is O=c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one?
The InChIKey is KMKGLRBPIDMTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-17-16-26-24(28)22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)23(25-26)20-14-8-3-9-15-20/h1-15,27H,16-17H2.
What are the key properties of 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one?
2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one has a molecular weight of 368.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,5,6-triphenylpyridazin-3-one is sourced from PubChem (CID 12688574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).