4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C12H11N5O — CID 64547578

IUPAC4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C12H11N5O/c13-7-9-1-3-10(4-2-9)12(18)14-6-5-11-15-8-16-17-11/h1-4,8H,5-6H2,(H,14,18)(H,15,16,17)
InChIKeyFJBFWKZTZSWRNY-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.65
Rot. Bonds4

About 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 64547578) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID64547578
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C12H11N5O/c13-7-9-1-3-10(4-2-9)12(18)14-6-5-11-15-8-16-17-11/h1-4,8H,5-6H2,(H,14,18)(H,15,16,17)
InChIKeyFJBFWKZTZSWRNY-UHFFFAOYSA-N
XLogP0.65
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[2-(1H-1,2,4-triazol-5-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

Related Compounds

4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
4-prop-2-enoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546203
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 64546842
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
4-tert-butyl-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]benzamide
CID 122142700
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 115283343
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862
tert-butyl N-[4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]phenyl]carbamate
CID 125130901

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 64547578) is 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is N#Cc1ccc(C(=O)NCCc2ncn[nH]2)cc1.
What is the InChIKey of 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is FJBFWKZTZSWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-7-9-1-3-10(4-2-9)12(18)14-6-5-11-15-8-16-17-11/h1-4,8H,5-6H2,(H,14,18)(H,15,16,17).
What are the key properties of 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 241.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 64547578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).