2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide

C5H5F3N4O — CID 177049935

IUPAC2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1C(N)=O
InChIInChI=1S/C5H5F3N4O/c1-12-3(2(9)13)10-4(11-12)5(6,7)8/h1H3,(H2,9,13)
InChIKeyRXZRSBMWJZTYAV-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.07
Rot. Bonds1

About 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide

2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 177049935) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
PubChem CID177049935
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1C(N)=O
InChIInChI=1S/C5H5F3N4O/c1-12-3(2(9)13)10-4(11-12)5(6,7)8/h1H3,(H2,9,13)
InChIKeyRXZRSBMWJZTYAV-UHFFFAOYSA-N
XLogP-0.07
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-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

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
3-bromo-1-(methoxymethyl)-1H-1,2,4-triazole-5-carboxamide
CID 82018847
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
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
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
1-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxamide
CID 159716903
4-(2,2,3,3,3-Pentafluoropropyl)-1,2,4-triazole-3-carboxamide
CID 169094234
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide (CID 177049935) is 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide is Cn1nc(C(F)(F)F)nc1C(N)=O.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is RXZRSBMWJZTYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c1-12-3(2(9)13)10-4(11-12)5(6,7)8/h1H3,(H2,9,13).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 194.12 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 177049935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).