5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine

C19H20N4 — CID 172619800

IUPAC5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
SMILESC=Cc1ccc(Cn2nc(Cc3ccccc3)nc2NC)cc1
InChIInChI=1S/C19H20N4/c1-3-15-9-11-17(12-10-15)14-23-19(20-2)21-18(22-23)13-16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3,(H,20,21,22)
InChIKeyGWNRWKGTQMAOTE-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.60
Rot. Bonds6

About 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine

5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine (PubChem CID 172619800) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
PubChem CID172619800
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
SMILESC=Cc1ccc(Cn2nc(Cc3ccccc3)nc2NC)cc1
InChIInChI=1S/C19H20N4/c1-3-15-9-11-17(12-10-15)14-23-19(20-2)21-18(22-23)13-16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3,(H,20,21,22)
InChIKeyGWNRWKGTQMAOTE-UHFFFAOYSA-N
XLogP3.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine 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 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine (CID 172619800) is 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine is C=Cc1ccc(Cn2nc(Cc3ccccc3)nc2NC)cc1.
What is the InChIKey of 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
The InChIKey is GWNRWKGTQMAOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-3-15-9-11-17(12-10-15)14-23-19(20-2)21-18(22-23)13-16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3,(H,20,21,22).
What are the key properties of 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine has a molecular weight of 304.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 172619800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).