5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

C7H10F3N3 — CID 90162186

IUPAC5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C7H10F3N3/c1-4(2)13-5(3)11-6(12-13)7(8,9)10/h4H,1-3H3
InChIKeyKEYZEPQWIFRSDV-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.19
Rot. Bonds1

About 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 90162186) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID90162186
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C7H10F3N3/c1-4(2)13-5(3)11-6(12-13)7(8,9)10/h4H,1-3H3
InChIKeyKEYZEPQWIFRSDV-UHFFFAOYSA-N
XLogP2.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-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 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (CID 90162186) is 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is Cc1nc(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is KEYZEPQWIFRSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(2)13-5(3)11-6(12-13)7(8,9)10/h4H,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 193.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 90162186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).