1-ethyl-4-fluoro-5-(2-methylpropyl)triazole

C8H14FN3 — CID 69381558

IUPAC1-ethyl-4-fluoro-5-(2-methylpropyl)triazole
SMILESCCn1nnc(F)c1CC(C)C
InChIInChI=1S/C8H14FN3/c1-4-12-7(5-6(2)3)8(9)10-11-12/h6H,4-5H2,1-3H3
InChIKeyLZESPCXHDMMHMR-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.64
Rot. Bonds3

About 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole

1-ethyl-4-fluoro-5-(2-methylpropyl)triazole (PubChem CID 69381558) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole.

Molecular Properties

Compound Name1-ethyl-4-fluoro-5-(2-methylpropyl)triazole
PubChem CID69381558
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name1-ethyl-4-fluoro-5-(2-methylpropyl)triazole
SMILESCCn1nnc(F)c1CC(C)C
InChIInChI=1S/C8H14FN3/c1-4-12-7(5-6(2)3)8(9)10-11-12/h6H,4-5H2,1-3H3
InChIKeyLZESPCXHDMMHMR-UHFFFAOYSA-N
XLogP1.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole?
The IUPAC name of 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole (CID 69381558) is 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole.
What is the SMILES notation for 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole?
The canonical SMILES for 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole is CCn1nnc(F)c1CC(C)C.
What is the InChIKey of 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole?
The InChIKey is LZESPCXHDMMHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-4-12-7(5-6(2)3)8(9)10-11-12/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole?
1-ethyl-4-fluoro-5-(2-methylpropyl)triazole has a molecular weight of 171.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-5-(2-methylpropyl)triazole is sourced from PubChem (CID 69381558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).