(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol

C7H14N2O — CID 53338751

IUPAC(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
SMILESO[C@@H]1C[C@H]2CNCCN2C1
InChIInChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7+/m0/s1
InChIKeyVLVMRQREBYGIBY-NKWVEPMBSA-N
MW142.20 g/mol
LogP-0.98
Rot. Bonds

About (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol

(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 53338751) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
PubChem CID53338751
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
SMILESO[C@@H]1C[C@H]2CNCCN2C1
InChIInChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7+/m0/s1
InChIKeyVLVMRQREBYGIBY-NKWVEPMBSA-N
XLogP-0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol (CID 53338751) is (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol is O[C@@H]1C[C@H]2CNCCN2C1.
What is the InChIKey of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is VLVMRQREBYGIBY-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7+/m0/s1.
What are the key properties of (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 142.20 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 53338751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).