5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine

C8H15N3O — CID 118447714

IUPAC5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine
SMILESCN1CCN(C)C2=C1NCCO2
InChIInChI=1S/C8H15N3O/c1-10-4-5-11(2)8-7(10)9-3-6-12-8/h9H,3-6H2,1-2H3
InChIKeyICQFJNIWJNPTHT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.39
Rot. Bonds

About 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine

5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine (PubChem CID 118447714) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine
PubChem CID118447714
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine
SMILESCN1CCN(C)C2=C1NCCO2
InChIInChI=1S/C8H15N3O/c1-10-4-5-11(2)8-7(10)9-3-6-12-8/h9H,3-6H2,1-2H3
InChIKeyICQFJNIWJNPTHT-UHFFFAOYSA-N
XLogP-0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine?
The IUPAC name of 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine (CID 118447714) is 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine.
What is the SMILES notation for 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine?
The canonical SMILES for 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine is CN1CCN(C)C2=C1NCCO2.
What is the InChIKey of 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine?
The InChIKey is ICQFJNIWJNPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-10-4-5-11(2)8-7(10)9-3-6-12-8/h9H,3-6H2,1-2H3.
What are the key properties of 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine?
5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine has a molecular weight of 169.23 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3,4,6,7-tetrahydro-2H-pyrazino[2,3-b][1,4]oxazine is sourced from PubChem (CID 118447714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).