5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one

C6H4BrN3O2 — CID 89038899

IUPAC5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one
SMILESCn1oc(=O)c2nc(Br)cnc21
InChIInChI=1S/C6H4BrN3O2/c1-10-5-4(6(11)12-10)9-3(7)2-8-5/h2H,1H3
InChIKeyQWYUTWONKXPMOC-UHFFFAOYSA-N
MW230.02 g/mol
LogP0.68
Rot. Bonds

About 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one

5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one (PubChem CID 89038899) has the molecular formula C6H4BrN3O2 and a molecular weight of 230.02 g/mol. Its IUPAC name is 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one
PubChem CID89038899
Molecular FormulaC6H4BrN3O2
Molecular Weight230.02 g/mol
Exact Mass228.95
IUPAC Name5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one
SMILESCn1oc(=O)c2nc(Br)cnc21
InChIInChI=1S/C6H4BrN3O2/c1-10-5-4(6(11)12-10)9-3(7)2-8-5/h2H,1H3
InChIKeyQWYUTWONKXPMOC-UHFFFAOYSA-N
XLogP0.68
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
The IUPAC name of 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one (CID 89038899) is 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one.
What is the SMILES notation for 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
The canonical SMILES for 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one is Cn1oc(=O)c2nc(Br)cnc21.
What is the InChIKey of 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
The InChIKey is QWYUTWONKXPMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O2/c1-10-5-4(6(11)12-10)9-3(7)2-8-5/h2H,1H3.
What are the key properties of 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one has a molecular weight of 230.02 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one is sourced from PubChem (CID 89038899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).