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

C7H5F3N4 — CID 163496062

IUPAC3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole
SMILESC=c1c(C(F)(F)F)nn2c(C)nnc12
InChIInChI=1S/C7H5F3N4/c1-3-5(7(8,9)10)13-14-4(2)11-12-6(3)14/h1H2,2H3
InChIKeyCQUZSKPWJFPKEM-UHFFFAOYSA-N
MW202.14 g/mol
LogP0.58
Rot. Bonds

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

3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 163496062) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole
PubChem CID163496062
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole
SMILESC=c1c(C(F)(F)F)nn2c(C)nnc12
InChIInChI=1S/C7H5F3N4/c1-3-5(7(8,9)10)13-14-4(2)11-12-6(3)14/h1H2,2H3
InChIKeyCQUZSKPWJFPKEM-UHFFFAOYSA-N
XLogP0.58
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 22944551
2,6-Dimethyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
CID 57879743
3,6-Dimethyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
CID 57879785
2,6-Dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole
CID 58322124
(6-Methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine
CID 59956166
3,6-Dimethyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
CID 60065274
(7Z)-7-butan-2-ylidene-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazole
CID 68222987
(7Z)-7-ethylidene-2,6-dimethylpyrazolo[1,5-b][1,2,4]triazole
CID 134535152
6-Butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
CID 143762856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole (CID 163496062) is 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole is C=c1c(C(F)(F)F)nn2c(C)nnc12.
What is the InChIKey of 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is CQUZSKPWJFPKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c1-3-5(7(8,9)10)13-14-4(2)11-12-6(3)14/h1H2,2H3.
What are the key properties of 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole?
3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 202.14 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 163496062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).