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

C7H12FN3 — CID 178009519

IUPAC3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole
SMILESCCc1ncn(CC(C)F)n1
InChIInChI=1S/C7H12FN3/c1-3-7-9-5-11(10-7)4-6(2)8/h5-6H,3-4H2,1-2H3
InChIKeyIEOYCVFJKNSJIO-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.20
Rot. Bonds3

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

3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole (PubChem CID 178009519) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole
PubChem CID178009519
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole
SMILESCCc1ncn(CC(C)F)n1
InChIInChI=1S/C7H12FN3/c1-3-7-9-5-11(10-7)4-6(2)8/h5-6H,3-4H2,1-2H3
InChIKeyIEOYCVFJKNSJIO-UHFFFAOYSA-N
XLogP1.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole (CID 178009519) is 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole is CCc1ncn(CC(C)F)n1.
What is the InChIKey of 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole?
The InChIKey is IEOYCVFJKNSJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-3-7-9-5-11(10-7)4-6(2)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole?
3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole has a molecular weight of 157.19 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 178009519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).