4H-pyrazino[1,2-a]pyrimidine

C7H7N3 — CID 121403759

IUPAC4H-pyrazino[1,2-a]pyrimidine
SMILESC1=CN=C2C=NC=CN2C1
InChIInChI=1S/C7H7N3/c1-2-9-7-6-8-3-5-10(7)4-1/h1-3,5-6H,4H2
InChIKeyHRQIOBKZDSWFNL-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.77
Rot. Bonds

About 4H-pyrazino[1,2-a]pyrimidine

4H-pyrazino[1,2-a]pyrimidine (PubChem CID 121403759) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4H-pyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name4H-pyrazino[1,2-a]pyrimidine
PubChem CID121403759
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name4H-pyrazino[1,2-a]pyrimidine
SMILESC1=CN=C2C=NC=CN2C1
InChIInChI=1S/C7H7N3/c1-2-9-7-6-8-3-5-10(7)4-1/h1-3,5-6H,4H2
InChIKeyHRQIOBKZDSWFNL-UHFFFAOYSA-N
XLogP0.77
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrazino[1,2-a]pyrimidine?
The IUPAC name of 4H-pyrazino[1,2-a]pyrimidine (CID 121403759) is 4H-pyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 4H-pyrazino[1,2-a]pyrimidine?
The canonical SMILES for 4H-pyrazino[1,2-a]pyrimidine is C1=CN=C2C=NC=CN2C1.
What is the InChIKey of 4H-pyrazino[1,2-a]pyrimidine?
The InChIKey is HRQIOBKZDSWFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-9-7-6-8-3-5-10(7)4-1/h1-3,5-6H,4H2.
What are the key properties of 4H-pyrazino[1,2-a]pyrimidine?
4H-pyrazino[1,2-a]pyrimidine has a molecular weight of 133.15 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 121403759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).