N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine

C19H22N4 — CID 166315017

IUPACN-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine
SMILESCc1nc(CCN(C)Cc2cccc(-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C19H22N4/c1-15-20-19(22-21-15)11-12-23(2)14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,20,21,22)
InChIKeyHESQXMUAEVSTHA-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine

N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine (PubChem CID 166315017) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine
PubChem CID166315017
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine
SMILESCc1nc(CCN(C)Cc2cccc(-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C19H22N4/c1-15-20-19(22-21-15)11-12-23(2)14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,20,21,22)
InChIKeyHESQXMUAEVSTHA-UHFFFAOYSA-N
XLogP3.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine 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 N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine (CID 166315017) is N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine is Cc1nc(CCN(C)Cc2cccc(-c3ccccc3)c2)n[nH]1.
What is the InChIKey of N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine?
The InChIKey is HESQXMUAEVSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-20-19(22-21-15)11-12-23(2)14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13H,11-12,14H2,1-2H3,(H,20,21,22).
What are the key properties of N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine?
N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine has a molecular weight of 306.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(3-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 166315017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).