1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one

C7H13N3O — CID 11040917

IUPAC1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one
SMILESO=C1NCCC2CNCCN12
InChIInChI=1S/C7H13N3O/c11-7-9-2-1-6-5-8-3-4-10(6)7/h6,8H,1-5H2,(H,9,11)
InChIKeyXMVKJWYTMHARMU-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.63
Rot. Bonds

About 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one

1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one (PubChem CID 11040917) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one
PubChem CID11040917
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one
SMILESO=C1NCCC2CNCCN12
InChIInChI=1S/C7H13N3O/c11-7-9-2-1-6-5-8-3-4-10(6)7/h6,8H,1-5H2,(H,9,11)
InChIKeyXMVKJWYTMHARMU-UHFFFAOYSA-N
XLogP-0.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one?
The IUPAC name of 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one (CID 11040917) is 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one?
The canonical SMILES for 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one is O=C1NCCC2CNCCN12.
What is the InChIKey of 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one?
The InChIKey is XMVKJWYTMHARMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-7-9-2-1-6-5-8-3-4-10(6)7/h6,8H,1-5H2,(H,9,11).
What are the key properties of 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one?
1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one has a molecular weight of 155.20 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8,9,9a-octahydropyrazino[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 11040917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).