6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C13H10FN3O2 — CID 2744831

IUPAC6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(-c2ccc(F)cc2)c(=O)c2noc(C)c12
InChIInChI=1S/C13H10FN3O2/c1-7-11-8(2)19-16-12(11)13(18)17(15-7)10-5-3-9(14)4-6-10/h3-6H,1-2H3
InChIKeyFQPGFRPIPNVXAI-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.13
Rot. Bonds1

About 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 2744831) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID2744831
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(-c2ccc(F)cc2)c(=O)c2noc(C)c12
InChIInChI=1S/C13H10FN3O2/c1-7-11-8(2)19-16-12(11)13(18)17(15-7)10-5-3-9(14)4-6-10/h3-6H,1-2H3
InChIKeyFQPGFRPIPNVXAI-UHFFFAOYSA-N
XLogP2.13
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 2744831) is 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(-c2ccc(F)cc2)c(=O)c2noc(C)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is FQPGFRPIPNVXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c1-7-11-8(2)19-16-12(11)13(18)17(15-7)10-5-3-9(14)4-6-10/h3-6H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 259.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 2744831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).