2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol

C6H13N3O — CID 175430050

IUPAC2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol
SMILESOC1CNC2NCCC2N1
InChIInChI=1S/C6H13N3O/c10-5-3-8-6-4(9-5)1-2-7-6/h4-10H,1-3H2
InChIKeyPIFKIYZWEGNXQH-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.81
Rot. Bonds

About 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol

2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol (PubChem CID 175430050) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol
PubChem CID175430050
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol
SMILESOC1CNC2NCCC2N1
InChIInChI=1S/C6H13N3O/c10-5-3-8-6-4(9-5)1-2-7-6/h4-10H,1-3H2
InChIKeyPIFKIYZWEGNXQH-UHFFFAOYSA-N
XLogP-1.81
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-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 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol (CID 175430050) is 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol is OC1CNC2NCCC2N1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol?
The InChIKey is PIFKIYZWEGNXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c10-5-3-8-6-4(9-5)1-2-7-6/h4-10H,1-3H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol?
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol has a molecular weight of 143.19 g/mol, XLogP of -1.81, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyrazin-2-ol is sourced from PubChem (CID 175430050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).