6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

C5H3F3N4 — CID 22239345

IUPAC6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESFC(F)(F)c1cc2nncn2[nH]1
InChIInChI=1S/C5H3F3N4/c6-5(7,8)3-1-4-10-9-2-12(4)11-3/h1-2,11H
InChIKeyNINPDMTYHAPTTG-UHFFFAOYSA-N
MW176.10 g/mol
LogP1.08
Rot. Bonds

About 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 22239345) has the molecular formula C5H3F3N4 and a molecular weight of 176.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID22239345
Molecular FormulaC5H3F3N4
Molecular Weight176.10 g/mol
Exact Mass176.03
IUPAC Name6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESFC(F)(F)c1cc2nncn2[nH]1
InChIInChI=1S/C5H3F3N4/c6-5(7,8)3-1-4-10-9-2-12(4)11-3/h1-2,11H
InChIKeyNINPDMTYHAPTTG-UHFFFAOYSA-N
XLogP1.08
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 22239345) is 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is FC(F)(F)c1cc2nncn2[nH]1.
What is the InChIKey of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is NINPDMTYHAPTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N4/c6-5(7,8)3-1-4-10-9-2-12(4)11-3/h1-2,11H.
What are the key properties of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 176.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 22239345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).