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

C9H17N3O2 — CID 138668535

IUPAC7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCNC(C)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C9H17N3O2/c1-7(10-2)11-3-4-12-8(5-11)6-14-9(12)13/h7-8,10H,3-6H2,1-2H3
InChIKeyYXOXSXAFZSXFAK-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.31
Rot. Bonds2

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

7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 138668535) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID138668535
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCNC(C)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C9H17N3O2/c1-7(10-2)11-3-4-12-8(5-11)6-14-9(12)13/h7-8,10H,3-6H2,1-2H3
InChIKeyYXOXSXAFZSXFAK-UHFFFAOYSA-N
XLogP-0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 138668535) is 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CNC(C)N1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is YXOXSXAFZSXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(10-2)11-3-4-12-8(5-11)6-14-9(12)13/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 199.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(methylamino)ethyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 138668535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).