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

C10H10FN3 — CID 144663333

IUPAC4-ethyl-1-(3-fluorophenyl)triazole
SMILESCCc1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C10H10FN3/c1-2-9-7-14(13-12-9)10-5-3-4-8(11)6-10/h3-7H,2H2,1H3
InChIKeyGNODPCZNVWXHAI-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.97
Rot. Bonds2

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

4-ethyl-1-(3-fluorophenyl)triazole (PubChem CID 144663333) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 4-ethyl-1-(3-fluorophenyl)triazole.

Molecular Properties

Compound Name4-ethyl-1-(3-fluorophenyl)triazole
PubChem CID144663333
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name4-ethyl-1-(3-fluorophenyl)triazole
SMILESCCc1cn(-c2cccc(F)c2)nn1
InChIInChI=1S/C10H10FN3/c1-2-9-7-14(13-12-9)10-5-3-4-8(11)6-10/h3-7H,2H2,1H3
InChIKeyGNODPCZNVWXHAI-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 4-ethyl-1-(3-fluorophenyl)triazole?
The IUPAC name of 4-ethyl-1-(3-fluorophenyl)triazole (CID 144663333) is 4-ethyl-1-(3-fluorophenyl)triazole.
What is the SMILES notation for 4-ethyl-1-(3-fluorophenyl)triazole?
The canonical SMILES for 4-ethyl-1-(3-fluorophenyl)triazole is CCc1cn(-c2cccc(F)c2)nn1.
What is the InChIKey of 4-ethyl-1-(3-fluorophenyl)triazole?
The InChIKey is GNODPCZNVWXHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-2-9-7-14(13-12-9)10-5-3-4-8(11)6-10/h3-7H,2H2,1H3.
What are the key properties of 4-ethyl-1-(3-fluorophenyl)triazole?
4-ethyl-1-(3-fluorophenyl)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 4-ethyl-1-(3-fluorophenyl)triazole is sourced from PubChem (CID 144663333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).