6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

C6H5F3N4 — CID 154523076

IUPAC6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cc2nnc(C(F)(F)F)n2[nH]1
InChIInChI=1S/C6H5F3N4/c1-3-2-4-10-11-5(6(7,8)9)13(4)12-3/h2,12H,1H3
InChIKeyYAOPFQXPVFTAQN-UHFFFAOYSA-N
MW190.13 g/mol
LogP1.38
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 154523076) has the molecular formula C6H5F3N4 and a molecular weight of 190.13 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID154523076
Molecular FormulaC6H5F3N4
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC Name6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1cc2nnc(C(F)(F)F)n2[nH]1
InChIInChI=1S/C6H5F3N4/c1-3-2-4-10-11-5(6(7,8)9)13(4)12-3/h2,12H,1H3
InChIKeyYAOPFQXPVFTAQN-UHFFFAOYSA-N
XLogP1.38
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 154523076) is 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1cc2nnc(C(F)(F)F)n2[nH]1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is YAOPFQXPVFTAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4/c1-3-2-4-10-11-5(6(7,8)9)13(4)12-3/h2,12H,1H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 190.13 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 154523076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).