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

C6H5N3O2 — CID 89038900

IUPAC1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one
SMILESCn1oc(=O)c2nccnc21
InChIInChI=1S/C6H5N3O2/c1-9-5-4(6(10)11-9)7-2-3-8-5/h2-3H,1H3
InChIKeyVGERVWBGCPWGEO-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.08
Rot. Bonds

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

1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one (PubChem CID 89038900) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one
PubChem CID89038900
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one
SMILESCn1oc(=O)c2nccnc21
InChIInChI=1S/C6H5N3O2/c1-9-5-4(6(10)11-9)7-2-3-8-5/h2-3H,1H3
InChIKeyVGERVWBGCPWGEO-UHFFFAOYSA-N
XLogP-0.08
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
The IUPAC name of 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one (CID 89038900) is 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one.
What is the SMILES notation for 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
The canonical SMILES for 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one is Cn1oc(=O)c2nccnc21.
What is the InChIKey of 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
The InChIKey is VGERVWBGCPWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-9-5-4(6(10)11-9)7-2-3-8-5/h2-3H,1H3.
What are the key properties of 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one?
1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one has a molecular weight of 151.12 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one is sourced from PubChem (CID 89038900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).