1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide

C6H7F3N4O — CID 159716903

IUPAC1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)1-2-13-3-11-5(12-13)4(10)14/h3H,1-2H2,(H2,10,14)
InChIKeyTVFUUKPRQBMWCM-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.33
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide

1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide (PubChem CID 159716903) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide
PubChem CID159716903
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)1-2-13-3-11-5(12-13)4(10)14/h3H,1-2H2,(H2,10,14)
InChIKeyTVFUUKPRQBMWCM-UHFFFAOYSA-N
XLogP0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
1-[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]ethanone
CID 124109029
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
CID 140550095
1-[[3-(Trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
CID 142742590
1-[(3,3-Difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225341
1-[(2,2-Difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
CID 150815057
1-[(3,3-Difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
CID 159487913

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide (CID 159716903) is 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CCC(F)(F)F)n1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is TVFUUKPRQBMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)1-2-13-3-11-5(12-13)4(10)14/h3H,1-2H2,(H2,10,14).
What are the key properties of 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide?
1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 159716903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).