2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C7H6F3N5O — CID 47120536

IUPAC2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1nncn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)3-12-6(16)2-15-4-13-14-5(15)1-11/h4H,2-3H2,(H,12,16)
InChIKeyHBUCTFALKZYLEL-UHFFFAOYSA-N
MW233.15 g/mol
LogP-0.17
Rot. Bonds3

About 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47120536) has the molecular formula C7H6F3N5O and a molecular weight of 233.15 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47120536
Molecular FormulaC7H6F3N5O
Molecular Weight233.15 g/mol
Exact Mass233.05
IUPAC Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#Cc1nncn1CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)3-12-6(16)2-15-4-13-14-5(15)1-11/h4H,2-3H2,(H,12,16)
InChIKeyHBUCTFALKZYLEL-UHFFFAOYSA-N
XLogP-0.17
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide 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

2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide
CID 47003260
2-[3-(Trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
CID 54067350
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 67183316
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
3-(Trifluoromethyl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 68520577
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 90793360
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
CID 140550095
4-(2,2,3,3,3-Pentafluoropropyl)-1,2,4-triazole-3-carboxamide
CID 169094234
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864509

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 47120536) is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is N#Cc1nncn1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HBUCTFALKZYLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O/c8-7(9,10)3-12-6(16)2-15-4-13-14-5(15)1-11/h4H,2-3H2,(H,12,16).
What are the key properties of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 233.15 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47120536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).