[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol

C8H17N3O — CID 59215758

IUPAC[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol
SMILESOC[C@@H]1CN2CCNCC2CN1
InChIInChI=1S/C8H17N3O/c12-6-7-5-11-2-1-9-3-8(11)4-10-7/h7-10,12H,1-6H2/t7-,8?/m0/s1
InChIKeySPZKTRAGSLOECK-JAMMHHFISA-N
MW171.24 g/mol
LogP-1.78
Rot. Bonds1

About [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol

[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol (PubChem CID 59215758) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol
PubChem CID59215758
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol
SMILESOC[C@@H]1CN2CCNCC2CN1
InChIInChI=1S/C8H17N3O/c12-6-7-5-11-2-1-9-3-8(11)4-10-7/h7-10,12H,1-6H2/t7-,8?/m0/s1
InChIKeySPZKTRAGSLOECK-JAMMHHFISA-N
XLogP-1.78
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol?
The IUPAC name of [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol (CID 59215758) is [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol?
The canonical SMILES for [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol is OC[C@@H]1CN2CCNCC2CN1.
What is the InChIKey of [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol?
The InChIKey is SPZKTRAGSLOECK-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17N3O/c12-6-7-5-11-2-1-9-3-8(11)4-10-7/h7-10,12H,1-6H2/t7-,8?/m0/s1.
What are the key properties of [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol?
[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol has a molecular weight of 171.24 g/mol, XLogP of -1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 59215758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).