(7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C17H26N4O2 — CID 139014382

IUPAC(7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESO[C@@H]1C[C@H]2CN(c3cncc(OC4CCCCC4)n3)CCN2C1
InChIInChI=1S/C17H26N4O2/c22-14-8-13-11-21(7-6-20(13)12-14)16-9-18-10-17(19-16)23-15-4-2-1-3-5-15/h9-10,13-15,22H,1-8,11-12H2/t13-,14+/m0/s1
InChIKeyLEKJEQFDKCSPDA-UONOGXRCSA-N
MW318.42 g/mol
LogP1.44
Rot. Bonds3

About (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 139014382) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID139014382
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESO[C@@H]1C[C@H]2CN(c3cncc(OC4CCCCC4)n3)CCN2C1
InChIInChI=1S/C17H26N4O2/c22-14-8-13-11-21(7-6-20(13)12-14)16-9-18-10-17(19-16)23-15-4-2-1-3-5-15/h9-10,13-15,22H,1-8,11-12H2/t13-,14+/m0/s1
InChIKeyLEKJEQFDKCSPDA-UONOGXRCSA-N
XLogP1.44
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Related Compounds

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4-(6-cyclohexyloxypyrazin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
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2-cyclohexyloxy-6-[4-[(6-fluoro-3-pyridinyl)oxy]piperidin-1-yl]pyrazine
CID 154839646
2-cyclohexyloxy-6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyrazine
CID 133485842
6-cycloheptyloxy-N-methylpyrazin-2-amine
CID 80871369
6-cyclohexyloxy-N-methylpyrazin-2-amine
CID 80858720
4-[1-[6-(cyclopentylmethoxy)pyrazin-2-yl]pyrrolidin-3-yl]morpholine
CID 133484389
(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane
CID 99622770
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-amine
CID 78954925

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 139014382) is (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is O[C@@H]1C[C@H]2CN(c3cncc(OC4CCCCC4)n3)CCN2C1.
What is the InChIKey of (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is LEKJEQFDKCSPDA-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-14-8-13-11-21(7-6-20(13)12-14)16-9-18-10-17(19-16)23-15-4-2-1-3-5-15/h9-10,13-15,22H,1-8,11-12H2/t13-,14+/m0/s1.
What are the key properties of (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 318.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-2-(6-cyclohexyloxypyrazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 139014382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).