pyrazino[1,2-a]pyrimidin-4-one

C7H5N3O — CID 23635952

IUPACpyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2cnccn12
InChIInChI=1S/C7H5N3O/c11-7-1-2-9-6-5-8-3-4-10(6)7/h1-5H
InChIKeyXUVWZCRUQIJFKJ-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.09
Rot. Bonds

About pyrazino[1,2-a]pyrimidin-4-one

pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 23635952) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Namepyrazino[1,2-a]pyrimidin-4-one
PubChem CID23635952
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Namepyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2cnccn12
InChIInChI=1S/C7H5N3O/c11-7-1-2-9-6-5-8-3-4-10(6)7/h1-5H
InChIKeyXUVWZCRUQIJFKJ-UHFFFAOYSA-N
XLogP0.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of pyrazino[1,2-a]pyrimidin-4-one (CID 23635952) is pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for pyrazino[1,2-a]pyrimidin-4-one is O=c1ccnc2cnccn12.
What is the InChIKey of pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is XUVWZCRUQIJFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-1-2-9-6-5-8-3-4-10(6)7/h1-5H.
What are the key properties of pyrazino[1,2-a]pyrimidin-4-one?
pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 147.14 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23635952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).