6,8a-dihydropyrrolo[1,2-a]pyrazine

C7H8N2 — CID 23423820

IUPAC6,8a-dihydropyrrolo[1,2-a]pyrazine
SMILESC1=CC2C=NC=CN2C1
InChIInChI=1S/C7H8N2/c1-2-7-6-8-3-5-9(7)4-1/h1-3,5-7H,4H2
InChIKeyOUPZNPUIAXQNAB-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.78
Rot. Bonds

About 6,8a-dihydropyrrolo[1,2-a]pyrazine

6,8a-dihydropyrrolo[1,2-a]pyrazine (PubChem CID 23423820) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6,8a-dihydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6,8a-dihydropyrrolo[1,2-a]pyrazine
PubChem CID23423820
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6,8a-dihydropyrrolo[1,2-a]pyrazine
SMILESC1=CC2C=NC=CN2C1
InChIInChI=1S/C7H8N2/c1-2-7-6-8-3-5-9(7)4-1/h1-3,5-7H,4H2
InChIKeyOUPZNPUIAXQNAB-UHFFFAOYSA-N
XLogP0.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,8a-Dihydroimidazo[1,5-a]pyridine
CID 57319126
2H-indolizin-4-ium
CID 57830632
1,4,6,8a-Tetrahydropyrrolo[1,2-a]pyrazine
CID 90996641
3,4,6,8a-Tetrahydropyrrolo[1,2-a]pyrazine
CID 91388088
3aH-pyrrolo[3,2-b]pyridine
CID 168098455
(3aR)-3aH-pyrrolo[3,2-b]pyridine
CID 124271578
(3aS)-3aH-pyrrolo[3,2-b]pyridine
CID 124271579
7H-pyrrolo[1,2-a]pyrazin-5-ium
CID 141651728

Frequently Asked Questions

What is the IUPAC name of 6,8a-dihydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 6,8a-dihydropyrrolo[1,2-a]pyrazine (CID 23423820) is 6,8a-dihydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6,8a-dihydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6,8a-dihydropyrrolo[1,2-a]pyrazine is C1=CC2C=NC=CN2C1.
What is the InChIKey of 6,8a-dihydropyrrolo[1,2-a]pyrazine?
The InChIKey is OUPZNPUIAXQNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-7-6-8-3-5-9(7)4-1/h1-3,5-7H,4H2.
What are the key properties of 6,8a-dihydropyrrolo[1,2-a]pyrazine?
6,8a-dihydropyrrolo[1,2-a]pyrazine has a molecular weight of 120.15 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8a-dihydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 23423820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).