3,4-dihydropyrazino[1,2-a]pyrimidin-2-one

C7H7N3O — CID 45088209

IUPAC3,4-dihydropyrazino[1,2-a]pyrimidin-2-one
SMILESO=C1CCN2C=CN=CC2=N1
InChIInChI=1S/C7H7N3O/c11-7-1-3-10-4-2-8-5-6(10)9-7/h2,4-5H,1,3H2
InChIKeyOYXRJBXBBACWRH-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.17
Rot. Bonds

About 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one

3,4-dihydropyrazino[1,2-a]pyrimidin-2-one (PubChem CID 45088209) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3,4-dihydropyrazino[1,2-a]pyrimidin-2-one
PubChem CID45088209
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3,4-dihydropyrazino[1,2-a]pyrimidin-2-one
SMILESO=C1CCN2C=CN=CC2=N1
InChIInChI=1S/C7H7N3O/c11-7-1-3-10-4-2-8-5-6(10)9-7/h2,4-5H,1,3H2
InChIKeyOYXRJBXBBACWRH-UHFFFAOYSA-N
XLogP0.17
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one?
The IUPAC name of 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one (CID 45088209) is 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one is O=C1CCN2C=CN=CC2=N1.
What is the InChIKey of 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one?
The InChIKey is OYXRJBXBBACWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-1-3-10-4-2-8-5-6(10)9-7/h2,4-5H,1,3H2.
What are the key properties of 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one?
3,4-dihydropyrazino[1,2-a]pyrimidin-2-one has a molecular weight of 149.15 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyrazino[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 45088209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).