6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one

C8H9FN4O — CID 71597526

IUPAC6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one
SMILESO=C1NNC(c2ccc(F)cc2)NN1
InChIInChI=1S/C8H9FN4O/c9-6-3-1-5(2-4-6)7-10-12-8(14)13-11-7/h1-4,7,10-11H,(H2,12,13,14)
InChIKeyKICIDFZSSRDUET-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.15
Rot. Bonds1

About 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one

6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one (PubChem CID 71597526) has the molecular formula C8H9FN4O and a molecular weight of 196.19 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one
PubChem CID71597526
Molecular FormulaC8H9FN4O
Molecular Weight196.19 g/mol
Exact Mass196.08
IUPAC Name6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one
SMILESO=C1NNC(c2ccc(F)cc2)NN1
InChIInChI=1S/C8H9FN4O/c9-6-3-1-5(2-4-6)7-10-12-8(14)13-11-7/h1-4,7,10-11H,(H2,12,13,14)
InChIKeyKICIDFZSSRDUET-UHFFFAOYSA-N
XLogP0.15
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one?
The IUPAC name of 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one (CID 71597526) is 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one is O=C1NNC(c2ccc(F)cc2)NN1.
What is the InChIKey of 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one?
The InChIKey is KICIDFZSSRDUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c9-6-3-1-5(2-4-6)7-10-12-8(14)13-11-7/h1-4,7,10-11H,(H2,12,13,14).
What are the key properties of 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one?
6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one has a molecular weight of 196.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,2,4,5-tetrazinan-3-one is sourced from PubChem (CID 71597526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).