6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

C5H4F3N5 — CID 22571470

IUPAC6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESNc1c(C(F)(F)F)[nH]n2cnnc12
InChIInChI=1S/C5H4F3N5/c6-5(7,8)3-2(9)4-11-10-1-13(4)12-3/h1,12H,9H2
InChIKeyPYFUTIWHUCPEFU-UHFFFAOYSA-N
MW191.12 g/mol
LogP0.66
Rot. Bonds

About 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (PubChem CID 22571470) has the molecular formula C5H4F3N5 and a molecular weight of 191.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
PubChem CID22571470
Molecular FormulaC5H4F3N5
Molecular Weight191.12 g/mol
Exact Mass191.04
IUPAC Name6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESNc1c(C(F)(F)F)[nH]n2cnnc12
InChIInChI=1S/C5H4F3N5/c6-5(7,8)3-2(9)4-11-10-1-13(4)12-3/h1,12H,9H2
InChIKeyPYFUTIWHUCPEFU-UHFFFAOYSA-N
XLogP0.66
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The IUPAC name of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (CID 22571470) is 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.
What is the SMILES notation for 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The canonical SMILES for 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is Nc1c(C(F)(F)F)[nH]n2cnnc12.
What is the InChIKey of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The InChIKey is PYFUTIWHUCPEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N5/c6-5(7,8)3-2(9)4-11-10-1-13(4)12-3/h1,12H,9H2.
What are the key properties of 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine has a molecular weight of 191.12 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is sourced from PubChem (CID 22571470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).