3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide

C11H12N4O2 — CID 113340193

IUPAC3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
SMILESCn1cnn(Cc2cccc(C(N)=O)c2)c1=O
InChIInChI=1S/C11H12N4O2/c1-14-7-13-15(11(14)17)6-8-3-2-4-9(5-8)10(12)16/h2-5,7H,6H2,1H3,(H2,12,16)
InChIKeyPELKCDBFTBJKDK-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.27
Rot. Bonds3

About 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide

3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide (PubChem CID 113340193) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
PubChem CID113340193
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
SMILESCn1cnn(Cc2cccc(C(N)=O)c2)c1=O
InChIInChI=1S/C11H12N4O2/c1-14-7-13-15(11(14)17)6-8-3-2-4-9(5-8)10(12)16/h2-5,7H,6H2,1H3,(H2,12,16)
InChIKeyPELKCDBFTBJKDK-UHFFFAOYSA-N
XLogP-0.27
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 75391007
N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 75390996
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
CID 145134299
3-[(5-methyltetrazol-2-yl)methyl]benzamide
CID 59058879
3-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 113257340
methyl 2-fluoro-4-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoate
CID 113340195
3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
CID 55138482
1-[(3-carbamoylphenyl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643384
3-[(4-carbamoyl-5-methyltriazol-1-yl)methyl]benzoic acid
CID 82204374
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
3-(sulfanylmethyl)benzamide
CID 118350806
3-(2-methylpropyl)benzamide
CID 23130390

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
The IUPAC name of 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide (CID 113340193) is 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide is Cn1cnn(Cc2cccc(C(N)=O)c2)c1=O.
What is the InChIKey of 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
The InChIKey is PELKCDBFTBJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-14-7-13-15(11(14)17)6-8-3-2-4-9(5-8)10(12)16/h2-5,7H,6H2,1H3,(H2,12,16).
What are the key properties of 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide has a molecular weight of 232.24 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide is sourced from PubChem (CID 113340193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).