1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine

C7H10N2 — CID 90996641

IUPAC1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
SMILESC1=CC2CN=CCN2C1
InChIInChI=1S/C7H10N2/c1-2-7-6-8-3-5-9(7)4-1/h1-3,7H,4-6H2
InChIKeySSXWCRJZIZKGES-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.31
Rot. Bonds

About 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine

1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 90996641) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID90996641
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
SMILESC1=CC2CN=CCN2C1
InChIInChI=1S/C7H10N2/c1-2-7-6-8-3-5-9(7)4-1/h1-3,7H,4-6H2
InChIKeySSXWCRJZIZKGES-UHFFFAOYSA-N
XLogP0.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.31
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-Pyrrolidin-1-yl-2,3-dihydropyridine
CID 22928866
1-Methyl-1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
CID 57323444
3,4,6,8a-Tetrahydropyrrolo[1,2-a]pyrazine
CID 91388088
N,N-dimethyl-2,3-dihydropyridin-3-amine
CID 18445632
6,8a-Dihydropyrrolo[1,2-a]pyrazine
CID 23423820

Frequently Asked Questions

What is the IUPAC name of 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine (CID 90996641) is 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine is C1=CC2CN=CCN2C1.
What is the InChIKey of 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is SSXWCRJZIZKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-7-6-8-3-5-9(7)4-1/h1-3,7H,4-6H2.
What are the key properties of 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine?
1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 122.17 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 90996641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).