5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

C8H10FN3O2 — CID 164571588

IUPAC5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCCC1C=CCn2c(=O)n(F)c(=O)n21
InChIInChI=1S/C8H10FN3O2/c1-2-6-4-3-5-10-7(13)11(9)8(14)12(6)10/h3-4,6H,2,5H2,1H3
InChIKeyVQBFBQDPZSHYAQ-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.06
Rot. Bonds1

About 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (PubChem CID 164571588) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.

Molecular Properties

Compound Name5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
PubChem CID164571588
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCCC1C=CCn2c(=O)n(F)c(=O)n21
InChIInChI=1S/C8H10FN3O2/c1-2-6-4-3-5-10-7(13)11(9)8(14)12(6)10/h3-4,6H,2,5H2,1H3
InChIKeyVQBFBQDPZSHYAQ-UHFFFAOYSA-N
XLogP0.06
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The IUPAC name of 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (CID 164571588) is 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.
What is the SMILES notation for 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The canonical SMILES for 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is CCC1C=CCn2c(=O)n(F)c(=O)n21.
What is the InChIKey of 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The InChIKey is VQBFBQDPZSHYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-2-6-4-3-5-10-7(13)11(9)8(14)12(6)10/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione has a molecular weight of 199.19 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is sourced from PubChem (CID 164571588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).