N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide

C10H6FN5O — CID 82016209

IUPACN-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H6FN5O/c11-7-1-2-8(6(3-7)4-12)14-10(17)9-5-13-16-15-9/h1-3,5H,(H,14,17)(H,13,15,16)
InChIKeySFUZOXQSYYBUEX-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.07
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide

N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide (PubChem CID 82016209) has the molecular formula C10H6FN5O and a molecular weight of 231.19 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
PubChem CID82016209
Molecular FormulaC10H6FN5O
Molecular Weight231.19 g/mol
Exact Mass231.06
IUPAC NameN-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H6FN5O/c11-7-1-2-8(6(3-7)4-12)14-10(17)9-5-13-16-15-9/h1-3,5H,(H,14,17)(H,13,15,16)
InChIKeySFUZOXQSYYBUEX-UHFFFAOYSA-N
XLogP1.07
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide 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-(2-carbamothioyl-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016550
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376511
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39039205
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
N-(2-cyano-4-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072391
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 82016159
N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070921
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide (CID 82016209) is N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide is N#Cc1cc(F)ccc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide?
The InChIKey is SFUZOXQSYYBUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O/c11-7-1-2-8(6(3-7)4-12)14-10(17)9-5-13-16-15-9/h1-3,5H,(H,14,17)(H,13,15,16).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide?
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide has a molecular weight of 231.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 82016209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).