2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide

C13H12N6O2 — CID 82202082

IUPAC2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide
SMILESCc1c(C#N)nnn1CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H12N6O2/c1-8-11(6-14)17-18-19(8)7-12(20)16-10-5-3-2-4-9(10)13(15)21/h2-5H,7H2,1H3,(H2,15,21)(H,16,20)
InChIKeyIYXHTQRVRXOPPX-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.20
Rot. Bonds4

About 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide

2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide (PubChem CID 82202082) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide
PubChem CID82202082
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide
SMILESCc1c(C#N)nnn1CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H12N6O2/c1-8-11(6-14)17-18-19(8)7-12(20)16-10-5-3-2-4-9(10)13(15)21/h2-5H,7H2,1H3,(H2,15,21)(H,16,20)
InChIKeyIYXHTQRVRXOPPX-UHFFFAOYSA-N
XLogP0.20
TPSA126.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]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

ethyl 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzoate
CID 94942232
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(5-chloro-2-methoxyphenyl)-2-(4-cyano-5-methyltriazol-1-yl)acetamide
CID 94941884
1-[2-(2-carbamoylanilino)-2-oxoethyl]-5-ethyltriazole-4-carboxylic acid
CID 94935368
dimethyl 1-[2-(2-carbamoylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 15994870
2-(cyanomethylamino)benzamide
CID 3086271
ethyl 2-[[2-[4-[(2,3-dimethylphenyl)carbamoyl]-5-methyltriazol-1-yl]acetyl]amino]benzoate
CID 53365898
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186
ethyl 2-[[2-[4-[(3,4-dichlorophenyl)carbamoyl]-5-methyltriazol-1-yl]acetyl]amino]benzoate
CID 53365892
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 4692603
2-(3-aminopropanoylamino)benzamide
CID 22692052
N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 60546437

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide (CID 82202082) is 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide is Cc1c(C#N)nnn1CC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide?
The InChIKey is IYXHTQRVRXOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-8-11(6-14)17-18-19(8)7-12(20)16-10-5-3-2-4-9(10)13(15)21/h2-5H,7H2,1H3,(H2,15,21)(H,16,20).
What are the key properties of 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide?
2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide has a molecular weight of 284.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 82202082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).