6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole

C6H5F3N4 — CID 22944551

IUPAC6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCC1=Nn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C6H5F3N4/c1-3-2-4-10-11-5(6(7,8)9)13(4)12-3/h2H2,1H3
InChIKeyQNXQVQOLHZGHBL-UHFFFAOYSA-N
MW190.13 g/mol
LogP1.08
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole

6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 22944551) has the molecular formula C6H5F3N4 and a molecular weight of 190.13 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID22944551
Molecular FormulaC6H5F3N4
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC Name6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCC1=Nn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C6H5F3N4/c1-3-2-4-10-11-5(6(7,8)9)13(4)12-3/h2H2,1H3
InChIKeyQNXQVQOLHZGHBL-UHFFFAOYSA-N
XLogP1.08
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-7H-pyrazolo[5,1-c][1,2,4]triazole;6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 91299529
3-Methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole
CID 163496062
6-Ethyl-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
CID 176983728
2,6-dimethyl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 18724706
3,6-dimethyl-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 18724708
6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 22944513
2-(5-Methyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)ethylidenetungsten;tungsten
CID 58599531
N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine
CID 68009529
2,6,7-trimethyl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 90179580
2,6,7,7-Tetramethylpyrazolo[1,5-b][1,2,4]triazole
CID 141234529

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole (CID 22944551) is 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole is CC1=Nn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is QNXQVQOLHZGHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4/c1-3-2-4-10-11-5(6(7,8)9)13(4)12-3/h2H2,1H3.
What are the key properties of 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole?
6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 190.13 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 22944551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).