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

C5H6F3N3 — CID 69382668

IUPAC1,5-dimethyl-4-(trifluoromethyl)triazole
SMILESCc1c(C(F)(F)F)nnn1C
InChIInChI=1S/C5H6F3N3/c1-3-4(5(6,7)8)9-10-11(3)2/h1-2H3
InChIKeySYLXDFLAIFWRDU-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.14
Rot. Bonds

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

1,5-dimethyl-4-(trifluoromethyl)triazole (PubChem CID 69382668) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 1,5-dimethyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name1,5-dimethyl-4-(trifluoromethyl)triazole
PubChem CID69382668
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name1,5-dimethyl-4-(trifluoromethyl)triazole
SMILESCc1c(C(F)(F)F)nnn1C
InChIInChI=1S/C5H6F3N3/c1-3-4(5(6,7)8)9-10-11(3)2/h1-2H3
InChIKeySYLXDFLAIFWRDU-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 1,5-dimethyl-4-(trifluoromethyl)triazole?
The IUPAC name of 1,5-dimethyl-4-(trifluoromethyl)triazole (CID 69382668) is 1,5-dimethyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 1,5-dimethyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 1,5-dimethyl-4-(trifluoromethyl)triazole is Cc1c(C(F)(F)F)nnn1C.
What is the InChIKey of 1,5-dimethyl-4-(trifluoromethyl)triazole?
The InChIKey is SYLXDFLAIFWRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-3-4(5(6,7)8)9-10-11(3)2/h1-2H3.
What are the key properties of 1,5-dimethyl-4-(trifluoromethyl)triazole?
1,5-dimethyl-4-(trifluoromethyl)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 1,5-dimethyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 69382668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).