6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide

C10H8F3N6- — CID 22090567

IUPAC6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide
SMILESCc1cc(C)n(-c2cn3c(C(F)(F)F)nnc3[n-]2)n1
InChIInChI=1S/C10H8F3N6/c1-5-3-6(2)19(17-5)7-4-18-8(10(11,12)13)15-16-9(18)14-7/h3-4H,1-2H3/q-1
InChIKeyRTJLLWVCVUXZBE-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.51
Rot. Bonds1

About 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide

6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide (PubChem CID 22090567) has the molecular formula C10H8F3N6- and a molecular weight of 269.21 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide
PubChem CID22090567
Molecular FormulaC10H8F3N6-
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide
SMILESCc1cc(C)n(-c2cn3c(C(F)(F)F)nnc3[n-]2)n1
InChIInChI=1S/C10H8F3N6/c1-5-3-6(2)19(17-5)7-4-18-8(10(11,12)13)15-16-9(18)14-7/h3-4H,1-2H3/q-1
InChIKeyRTJLLWVCVUXZBE-UHFFFAOYSA-N
XLogP1.51
TPSA62.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide (CID 22090567) is 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide is Cc1cc(C)n(-c2cn3c(C(F)(F)F)nnc3[n-]2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide?
The InChIKey is RTJLLWVCVUXZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N6/c1-5-3-6(2)19(17-5)7-4-18-8(10(11,12)13)15-16-9(18)14-7/h3-4H,1-2H3/q-1.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide?
6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide has a molecular weight of 269.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide is sourced from PubChem (CID 22090567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).