1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C7H11N3O — CID 123431126

IUPAC1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CC=NCC12
InChIInChI=1S/C7H11N3O/c11-7-6-5-8-1-3-10(6)4-2-9-7/h1,6H,2-5H2,(H,9,11)
InChIKeyMQHWFIYJAAFUPW-UHFFFAOYSA-N
MW153.19 g/mol
LogP-1.13
Rot. Bonds

About 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 123431126) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID123431126
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CC=NCC12
InChIInChI=1S/C7H11N3O/c11-7-6-5-8-1-3-10(6)4-2-9-7/h1,6H,2-5H2,(H,9,11)
InChIKeyMQHWFIYJAAFUPW-UHFFFAOYSA-N
XLogP-1.13
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 123431126) is 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CC=NCC12.
What is the InChIKey of 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is MQHWFIYJAAFUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-7-6-5-8-1-3-10(6)4-2-9-7/h1,6H,2-5H2,(H,9,11).
What are the key properties of 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 153.19 g/mol, XLogP of -1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 123431126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).