2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide

C6H7F3N4O — CID 175864550

IUPAC2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESC[C@@H](n1ncnc1C(N)=O)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-3(6(7,8)9)13-5(4(10)14)11-2-12-13/h2-3H,1H3,(H2,10,14)/t3-/m1/s1
InChIKeyKGMWZAYROAHEML-GSVOUGTGSA-N
MW208.14 g/mol
LogP0.50
Rot. Bonds2

About 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide

2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 175864550) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID175864550
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESC[C@@H](n1ncnc1C(N)=O)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-3(6(7,8)9)13-5(4(10)14)11-2-12-13/h2-3H,1H3,(H2,10,14)/t3-/m1/s1
InChIKeyKGMWZAYROAHEML-GSVOUGTGSA-N
XLogP0.50
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(2-fluoroethyl)-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 88390347
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
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
CID 140550095
1-[(2,2-Difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
CID 150815057
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide (CID 175864550) is 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide is C[C@@H](n1ncnc1C(N)=O)C(F)(F)F.
What is the InChIKey of 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KGMWZAYROAHEML-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-3(6(7,8)9)13-5(4(10)14)11-2-12-13/h2-3H,1H3,(H2,10,14)/t3-/m1/s1.
What are the key properties of 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide?
2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175864550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).