5-methyl-1-(trifluoromethyl)-1,2,4-triazole

C4H4F3N3 — CID 150163375

IUPAC5-methyl-1-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ncnn1C(F)(F)F
InChIInChI=1S/C4H4F3N3/c1-3-8-2-9-10(3)4(5,6)7/h2H,1H3
InChIKeyFHXCCPKUFDVAOQ-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.06
Rot. Bonds

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

5-methyl-1-(trifluoromethyl)-1,2,4-triazole (PubChem CID 150163375) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 5-methyl-1-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-(trifluoromethyl)-1,2,4-triazole
PubChem CID150163375
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name5-methyl-1-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ncnn1C(F)(F)F
InChIInChI=1S/C4H4F3N3/c1-3-8-2-9-10(3)4(5,6)7/h2H,1H3
InChIKeyFHXCCPKUFDVAOQ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-methyl-1-(trifluoromethyl)-1,2,4-triazole (CID 150163375) is 5-methyl-1-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-(trifluoromethyl)-1,2,4-triazole is Cc1ncnn1C(F)(F)F.
What is the InChIKey of 5-methyl-1-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is FHXCCPKUFDVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c1-3-8-2-9-10(3)4(5,6)7/h2H,1H3.
What are the key properties of 5-methyl-1-(trifluoromethyl)-1,2,4-triazole?
5-methyl-1-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 151.09 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 150163375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).