4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one

C5H8FN3O — CID 178164510

IUPAC4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(F)nn(C)c1=O
InChIInChI=1S/C5H8FN3O/c1-3-9-4(6)7-8(2)5(9)10/h3H2,1-2H3
InChIKeyQTTLGQHMNXRWMI-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.26
Rot. Bonds1

About 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one (PubChem CID 178164510) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one
PubChem CID178164510
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(F)nn(C)c1=O
InChIInChI=1S/C5H8FN3O/c1-3-9-4(6)7-8(2)5(9)10/h3H2,1-2H3
InChIKeyQTTLGQHMNXRWMI-UHFFFAOYSA-N
XLogP-0.26
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one (CID 178164510) is 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one is CCn1c(F)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one?
The InChIKey is QTTLGQHMNXRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-3-9-4(6)7-8(2)5(9)10/h3H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one has a molecular weight of 145.14 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 178164510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).