2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one

C10H10FN3O — CID 155061594

IUPAC2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one
SMILESCCn1ncn(-c2ccccc2F)c1=O
InChIInChI=1S/C10H10FN3O/c1-2-14-10(15)13(7-12-14)9-6-4-3-5-8(9)11/h3-7H,2H2,1H3
InChIKeyYFFKTLLXRBOCBW-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.19
Rot. Bonds2

About 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one

2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one (PubChem CID 155061594) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one
PubChem CID155061594
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one
SMILESCCn1ncn(-c2ccccc2F)c1=O
InChIInChI=1S/C10H10FN3O/c1-2-14-10(15)13(7-12-14)9-6-4-3-5-8(9)11/h3-7H,2H2,1H3
InChIKeyYFFKTLLXRBOCBW-UHFFFAOYSA-N
XLogP1.19
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one?
The IUPAC name of 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one (CID 155061594) is 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one?
The canonical SMILES for 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one is CCn1ncn(-c2ccccc2F)c1=O.
What is the InChIKey of 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one?
The InChIKey is YFFKTLLXRBOCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-2-14-10(15)13(7-12-14)9-6-4-3-5-8(9)11/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one?
2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one has a molecular weight of 207.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 155061594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).