3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole

C5H6F3N3 — CID 59887060

IUPAC3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nnc(C(F)(F)F)n1C
InChIInChI=1S/C5H6F3N3/c1-3-9-10-4(11(3)2)5(6,7)8/h1-2H3
InChIKeySYZOZQMTANJFGZ-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.14
Rot. Bonds

About 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole

3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 59887060) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID59887060
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nnc(C(F)(F)F)n1C
InChIInChI=1S/C5H6F3N3/c1-3-9-10-4(11(3)2)5(6,7)8/h1-2H3
InChIKeySYZOZQMTANJFGZ-UHFFFAOYSA-N
XLogP1.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole (CID 59887060) is 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole is Cc1nnc(C(F)(F)F)n1C.
What is the InChIKey of 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is SYZOZQMTANJFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-3-9-10-4(11(3)2)5(6,7)8/h1-2H3.
What are the key properties of 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole?
3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 165.12 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 59887060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).