2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one

C23H18ClN3O2 — CID 94387276

IUPAC2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one
SMILESO=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2/c24-19-14-8-7-13-18(19)20(28)15-27-23(29)25-21(16-9-3-1-4-10-16)22(26-27)17-11-5-2-6-12-17/h1-14,20,28H,15H2/t20-/m0/s1
InChIKeyUKAVBZBFMDVYQS-FQEVSTJZSA-N
MW403.87 g/mol
LogP4.36
Rot. Bonds5

About 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one

2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one (PubChem CID 94387276) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one
PubChem CID94387276
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one
SMILESO=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2/c24-19-14-8-7-13-18(19)20(28)15-27-23(29)25-21(16-9-3-1-4-10-16)22(26-27)17-11-5-2-6-12-17/h1-14,20,28H,15H2/t20-/m0/s1
InChIKeyUKAVBZBFMDVYQS-FQEVSTJZSA-N
XLogP4.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one?
The IUPAC name of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one (CID 94387276) is 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one.
What is the SMILES notation for 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one?
The canonical SMILES for 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one is O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1ccccc1Cl.
What is the InChIKey of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one?
The InChIKey is UKAVBZBFMDVYQS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-19-14-8-7-13-18(19)20(28)15-27-23(29)25-21(16-9-3-1-4-10-16)22(26-27)17-11-5-2-6-12-17/h1-14,20,28H,15H2/t20-/m0/s1.
What are the key properties of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one?
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one has a molecular weight of 403.87 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one is sourced from PubChem (CID 94387276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).