7,7a-dihydro-4aH-cyclopenta[b]pyrazine

C7H8N2 — CID 91295956

IUPAC7,7a-dihydro-4aH-cyclopenta[b]pyrazine
SMILESC1=CC2N=CC=NC2C1
InChIInChI=1S/C7H8N2/c1-2-6-7(3-1)9-5-4-8-6/h1-2,4-7H,3H2
InChIKeyHWRDKDNCMOSKLZ-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.84
Rot. Bonds

About 7,7a-dihydro-4aH-cyclopenta[b]pyrazine

7,7a-dihydro-4aH-cyclopenta[b]pyrazine (PubChem CID 91295956) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 7,7a-dihydro-4aH-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name7,7a-dihydro-4aH-cyclopenta[b]pyrazine
PubChem CID91295956
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name7,7a-dihydro-4aH-cyclopenta[b]pyrazine
SMILESC1=CC2N=CC=NC2C1
InChIInChI=1S/C7H8N2/c1-2-6-7(3-1)9-5-4-8-6/h1-2,4-7H,3H2
InChIKeyHWRDKDNCMOSKLZ-UHFFFAOYSA-N
XLogP0.84
TPSA24.72 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 ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-4aH-cyclopenta[b]pyrazine?
The IUPAC name of 7,7a-dihydro-4aH-cyclopenta[b]pyrazine (CID 91295956) is 7,7a-dihydro-4aH-cyclopenta[b]pyrazine.
What is the SMILES notation for 7,7a-dihydro-4aH-cyclopenta[b]pyrazine?
The canonical SMILES for 7,7a-dihydro-4aH-cyclopenta[b]pyrazine is C1=CC2N=CC=NC2C1.
What is the InChIKey of 7,7a-dihydro-4aH-cyclopenta[b]pyrazine?
The InChIKey is HWRDKDNCMOSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-7(3-1)9-5-4-8-6/h1-2,4-7H,3H2.
What are the key properties of 7,7a-dihydro-4aH-cyclopenta[b]pyrazine?
7,7a-dihydro-4aH-cyclopenta[b]pyrazine has a molecular weight of 120.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-4aH-cyclopenta[b]pyrazine is sourced from PubChem (CID 91295956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).