6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one

C10H11N3O2 — CID 22172589

IUPAC6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one
SMILESCC(C)Cc1nc2ccnnc2c(=O)o1
InChIInChI=1S/C10H11N3O2/c1-6(2)5-8-12-7-3-4-11-13-9(7)10(14)15-8/h3-4,6H,5H2,1-2H3
InChIKeyVJKLONZDJYQTQI-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.18
Rot. Bonds2

About 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one

6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one (PubChem CID 22172589) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one.

Molecular Properties

Compound Name6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one
PubChem CID22172589
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one
SMILESCC(C)Cc1nc2ccnnc2c(=O)o1
InChIInChI=1S/C10H11N3O2/c1-6(2)5-8-12-7-3-4-11-13-9(7)10(14)15-8/h3-4,6H,5H2,1-2H3
InChIKeyVJKLONZDJYQTQI-UHFFFAOYSA-N
XLogP1.18
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one?
The IUPAC name of 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one (CID 22172589) is 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one.
What is the SMILES notation for 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one?
The canonical SMILES for 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one is CC(C)Cc1nc2ccnnc2c(=O)o1.
What is the InChIKey of 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one?
The InChIKey is VJKLONZDJYQTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(2)5-8-12-7-3-4-11-13-9(7)10(14)15-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one?
6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one has a molecular weight of 205.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one is sourced from PubChem (CID 22172589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).