1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine

C8H18N4 — CID 45099537

IUPAC1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine
SMILESCN1CCNC2C1NCCN2C
InChIInChI=1S/C8H18N4/c1-11-5-3-10-8-7(11)9-4-6-12(8)2/h7-10H,3-6H2,1-2H3
InChIKeyJEHKIJFTWLWGDO-UHFFFAOYSA-N
MW170.26 g/mol
LogP-1.29
Rot. Bonds

About 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine

1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine (PubChem CID 45099537) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine.

Molecular Properties

Compound Name1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine
PubChem CID45099537
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine
SMILESCN1CCNC2C1NCCN2C
InChIInChI=1S/C8H18N4/c1-11-5-3-10-8-7(11)9-4-6-12(8)2/h7-10H,3-6H2,1-2H3
InChIKeyJEHKIJFTWLWGDO-UHFFFAOYSA-N
XLogP-1.29
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine?
The IUPAC name of 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine (CID 45099537) is 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine.
What is the SMILES notation for 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine?
The canonical SMILES for 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine is CN1CCNC2C1NCCN2C.
What is the InChIKey of 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine?
The InChIKey is JEHKIJFTWLWGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-11-5-3-10-8-7(11)9-4-6-12(8)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine?
1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine has a molecular weight of 170.26 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrazino[2,3-b]pyrazine is sourced from PubChem (CID 45099537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).