2-methyl-4-(trifluoromethyl)triazole

C4H4F3N3 — CID 89003292

IUPAC2-methyl-4-(trifluoromethyl)triazole
SMILESCn1ncc(C(F)(F)F)n1
InChIInChI=1S/C4H4F3N3/c1-10-8-2-3(9-10)4(5,6)7/h2H,1H3
InChIKeyFBISQEWHCPSGGE-UHFFFAOYSA-N
MW151.09 g/mol
LogP0.83
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)triazole

2-methyl-4-(trifluoromethyl)triazole (PubChem CID 89003292) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)triazole
PubChem CID89003292
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name2-methyl-4-(trifluoromethyl)triazole
SMILESCn1ncc(C(F)(F)F)n1
InChIInChI=1S/C4H4F3N3/c1-10-8-2-3(9-10)4(5,6)7/h2H,1H3
InChIKeyFBISQEWHCPSGGE-UHFFFAOYSA-N
XLogP0.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)-1H-1,2,3-triazole
CID 22600922
5-(Trifluoromethyl)triazole-3-thiol
CID 129763647
2,4-Dimethyl-2H-1,2,3-triazole
CID 13610389
1-Methyl-5-(trifluoromethyl)triazole
CID 14489355
1-Bromodifluoromethyltriazole
CID 129793033
(Hexafluoropropan-2-yl)-5-(trifluoromethyl)-2h-1,2,3-triazole
CID 129859725
2-Trimethylsilyl-4-trifluoromethyl-1,2,3-triazole
CID 129862111
4-(Trifluoromethyl)triazol-1-amine
CID 19889053
5-(Trifluoromethyl)triazol-1-amine
CID 20137746
4-(difluoromethyl)-2H-triazole
CID 53807971
4-(1,1-difluoroethyl)-2H-triazole
CID 54414948
4-(Difluoromethyl)-2-methyltriazole
CID 67726154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)triazole?
The IUPAC name of 2-methyl-4-(trifluoromethyl)triazole (CID 89003292) is 2-methyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)triazole is Cn1ncc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)triazole?
The InChIKey is FBISQEWHCPSGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c1-10-8-2-3(9-10)4(5,6)7/h2H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)triazole?
2-methyl-4-(trifluoromethyl)triazole has a molecular weight of 151.09 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 89003292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).