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

C10H10FN3 — CID 91025299

IUPAC3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole
SMILESCCc1ncn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN3/c1-2-10-12-7-14(13-10)9-5-3-8(11)4-6-9/h3-7H,2H2,1H3
InChIKeyPKBPMLGDUQFULI-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.97
Rot. Bonds2

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

3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole (PubChem CID 91025299) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole
PubChem CID91025299
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole
SMILESCCc1ncn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H10FN3/c1-2-10-12-7-14(13-10)9-5-3-8(11)4-6-9/h3-7H,2H2,1H3
InChIKeyPKBPMLGDUQFULI-UHFFFAOYSA-N
XLogP1.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole (CID 91025299) is 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole is CCc1ncn(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole?
The InChIKey is PKBPMLGDUQFULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-2-10-12-7-14(13-10)9-5-3-8(11)4-6-9/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole?
3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole has a molecular weight of 191.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 91025299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).