7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C7H13N3O2 — CID 167062536

IUPAC7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCNN1CCN2C(=O)OCC2C1
InChIInChI=1S/C7H13N3O2/c1-8-9-2-3-10-6(4-9)5-12-7(10)11/h6,8H,2-5H2,1H3
InChIKeyUGSGUYXFBUFZGL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.74
Rot. Bonds1

About 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 167062536) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID167062536
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCNN1CCN2C(=O)OCC2C1
InChIInChI=1S/C7H13N3O2/c1-8-9-2-3-10-6(4-9)5-12-7(10)11/h6,8H,2-5H2,1H3
InChIKeyUGSGUYXFBUFZGL-UHFFFAOYSA-N
XLogP-0.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 167062536) is 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CNN1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is UGSGUYXFBUFZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-8-9-2-3-10-6(4-9)5-12-7(10)11/h6,8H,2-5H2,1H3.
What are the key properties of 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 167062536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).