3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole

C7H10F3N3 — CID 122678546

IUPAC3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
SMILESCCc1nncn1CCC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-2-6-12-11-5-13(6)4-3-7(8,9)10/h5H,2-4H2,1H3
InChIKeyUCZXJWKNRBRFQC-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.79
Rot. Bonds3

About 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole

3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole (PubChem CID 122678546) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
PubChem CID122678546
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
SMILESCCc1nncn1CCC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-2-6-12-11-5-13(6)4-3-7(8,9)10/h5H,2-4H2,1H3
InChIKeyUCZXJWKNRBRFQC-UHFFFAOYSA-N
XLogP1.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole (CID 122678546) is 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole is CCc1nncn1CCC(F)(F)F.
What is the InChIKey of 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole?
The InChIKey is UCZXJWKNRBRFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-2-6-12-11-5-13(6)4-3-7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole?
3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole has a molecular weight of 193.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 122678546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).