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

C7H9F4N3 — CID 67234435

IUPAC3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCn1c(CCCF)nnc1C(F)(F)F
InChIInChI=1S/C7H9F4N3/c1-14-5(3-2-4-8)12-13-6(14)7(9,10)11/h2-4H2,1H3
InChIKeyWXCZBKYKJLKYBC-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.74
Rot. Bonds3

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

3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 67234435) has the molecular formula C7H9F4N3 and a molecular weight of 211.16 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID67234435
Molecular FormulaC7H9F4N3
Molecular Weight211.16 g/mol
Exact Mass211.07
IUPAC Name3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCn1c(CCCF)nnc1C(F)(F)F
InChIInChI=1S/C7H9F4N3/c1-14-5(3-2-4-8)12-13-6(14)7(9,10)11/h2-4H2,1H3
InChIKeyWXCZBKYKJLKYBC-UHFFFAOYSA-N
XLogP1.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoropropyl)-4-methyl-5-(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 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole (CID 67234435) is 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole is Cn1c(CCCF)nnc1C(F)(F)F.
What is the InChIKey of 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is WXCZBKYKJLKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3/c1-14-5(3-2-4-8)12-13-6(14)7(9,10)11/h2-4H2,1H3.
What are the key properties of 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 211.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 67234435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).