3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole

C7H9ClF3N3 — CID 63384887

IUPAC3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC(F)(F)F
InChIInChI=1S/C7H9ClF3N3/c1-2-3-5-12-13-6(8)14(5)4-7(9,10)11/h2-4H2,1H3
InChIKeyGIRDJAFDDZEGGF-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.45
Rot. Bonds3

About 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole

3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 63384887) has the molecular formula C7H9ClF3N3 and a molecular weight of 227.62 g/mol. Its IUPAC name is 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID63384887
Molecular FormulaC7H9ClF3N3
Molecular Weight227.62 g/mol
Exact Mass227.04
IUPAC Name3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC(F)(F)F
InChIInChI=1S/C7H9ClF3N3/c1-2-3-5-12-13-6(8)14(5)4-7(9,10)11/h2-4H2,1H3
InChIKeyGIRDJAFDDZEGGF-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 23462274
3-tert-butyl-5-chloro-4-methyl-4H-1,2,4-triazole
CID 63383807
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
3-chloro-4-cyclopropyl-5-methyl-4H-1,2,4-triazole
CID 63384788
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
4-Propan-2-yl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811635
3-(chloromethyl)-5-ethyl-4-methyl-4H-1,2,4-triazole
CID 23462226
1-[4-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]ethanethiol
CID 57131925
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
4-Cyclohexyl-3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazole
CID 59287295

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 63384887) is 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole is CCCc1nnc(Cl)n1CC(F)(F)F.
What is the InChIKey of 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is GIRDJAFDDZEGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3N3/c1-2-3-5-12-13-6(8)14(5)4-7(9,10)11/h2-4H2,1H3.
What are the key properties of 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 227.62 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 63384887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).