4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C13H17N5O — CID 118788703

IUPAC4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1ncnc1CCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H17N5O/c1-18-12(16-9-17-18)6-7-15-13(19)11-4-2-10(8-14)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,19)
InChIKeyUBOJXYBGQYVWCJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.25
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 118788703) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID118788703
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1ncnc1CCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H17N5O/c1-18-12(16-9-17-18)6-7-15-13(19)11-4-2-10(8-14)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,19)
InChIKeyUBOJXYBGQYVWCJ-UHFFFAOYSA-N
XLogP0.25
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide 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 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 118788703) is 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is Cn1ncnc1CCNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is UBOJXYBGQYVWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-12(16-9-17-18)6-7-15-13(19)11-4-2-10(8-14)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,19).
What are the key properties of 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 118788703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).