2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one

C19H22N4O — CID 70154946

IUPAC2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one
SMILESCN(C)CCc1ccccc1-n1nc(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C19H22N4O/c1-21(2)14-13-15-9-7-8-12-17(15)23-19(24)22(3)18(20-23)16-10-5-4-6-11-16/h4-12H,13-14H2,1-3H3
InChIKeyPGYWUIRBRBCOJI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one

2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one (PubChem CID 70154946) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one
PubChem CID70154946
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one
SMILESCN(C)CCc1ccccc1-n1nc(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C19H22N4O/c1-21(2)14-13-15-9-7-8-12-17(15)23-19(24)22(3)18(20-23)16-10-5-4-6-11-16/h4-12H,13-14H2,1-3H3
InChIKeyPGYWUIRBRBCOJI-UHFFFAOYSA-N
XLogP2.34
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one (CID 70154946) is 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one is CN(C)CCc1ccccc1-n1nc(-c2ccccc2)n(C)c1=O.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The InChIKey is PGYWUIRBRBCOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-21(2)14-13-15-9-7-8-12-17(15)23-19(24)22(3)18(20-23)16-10-5-4-6-11-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one?
2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one has a molecular weight of 322.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl]phenyl]-4-methyl-5-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 70154946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).