2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C8H8F3N7O — CID 131892086

IUPAC2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cn[nH]n2)n(CC(F)(F)F)n1
InChIInChI=1S/C8H8F3N7O/c9-8(10,11)3-18-7(4-2-13-17-15-4)14-6(16-18)1-5(12)19/h2H,1,3H2,(H2,12,19)(H,13,15,17)
InChIKeyXAGNSYRZOKHBHZ-UHFFFAOYSA-N
MW275.19 g/mol
LogP-0.35
Rot. Bonds4

About 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131892086) has the molecular formula C8H8F3N7O and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131892086
Molecular FormulaC8H8F3N7O
Molecular Weight275.19 g/mol
Exact Mass275.07
IUPAC Name2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cn[nH]n2)n(CC(F)(F)F)n1
InChIInChI=1S/C8H8F3N7O/c9-8(10,11)3-18-7(4-2-13-17-15-4)14-6(16-18)1-5(12)19/h2H,1,3H2,(H2,12,19)(H,13,15,17)
InChIKeyXAGNSYRZOKHBHZ-UHFFFAOYSA-N
XLogP-0.35
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 131892086) is 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(-c2cn[nH]n2)n(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is XAGNSYRZOKHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7O/c9-8(10,11)3-18-7(4-2-13-17-15-4)14-6(16-18)1-5(12)19/h2H,1,3H2,(H2,12,19)(H,13,15,17).
What are the key properties of 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 275.19 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131892086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).