2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide

C10H11N5O — CID 62308374

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(-n2cnc(N)n2)c1
InChIInChI=1S/C10H11N5O/c1-6-2-3-7(9(11)16)8(4-6)15-5-13-10(12)14-15/h2-5H,1H3,(H2,11,16)(H2,12,14)
InChIKeyPSYXGJMXVZSQHU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.26
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide

2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide (PubChem CID 62308374) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide
PubChem CID62308374
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(-n2cnc(N)n2)c1
InChIInChI=1S/C10H11N5O/c1-6-2-3-7(9(11)16)8(4-6)15-5-13-10(12)14-15/h2-5H,1H3,(H2,11,16)(H2,12,14)
InChIKeyPSYXGJMXVZSQHU-UHFFFAOYSA-N
XLogP0.26
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide 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-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
CID 930187
2-(1H-1,2,4-Triazol-1-yl)benzaldehyde
CID 3536446
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 703007
4H,5H-(1,2,4)triazolo(4,3-a)quinazolin-5-one
CID 135450456
2-methyl-3-(4H-1,2,4-triazol-4-yl)quinazolin-4(3H)-one
CID 3235693
N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 2462594
4H,5H-[1,2,4]triazolo[1,5-a]quinazolin-5-one
CID 136025241
N-[4-(acetylamino)phenyl]-2-(1H-tetrazol-1-yl)benzamide
CID 8701507
N-(4-Methyl-benzyl)-3-tetrazol-1-yl-benzamide
CID 644843
1-[4-(1H-1,2,4-Triazol-1-yl)phenyl]ethan-1-one
CID 2560317
N-propyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]benzamide
CID 9503127
4-(3-Methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 13057685

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide (CID 62308374) is 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide is Cc1ccc(C(N)=O)c(-n2cnc(N)n2)c1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide?
The InChIKey is PSYXGJMXVZSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-6-2-3-7(9(11)16)8(4-6)15-5-13-10(12)14-15/h2-5H,1H3,(H2,11,16)(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide?
2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide has a molecular weight of 217.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide is sourced from PubChem (CID 62308374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).