4a,7a-dimethyl-7H-cyclopenta[b]pyrazine

C9H12N2 — CID 68952124

IUPAC4a,7a-dimethyl-7H-cyclopenta[b]pyrazine
SMILESCC12C=CCC1(C)N=CC=N2
InChIInChI=1S/C9H12N2/c1-8-4-3-5-9(8,2)11-7-6-10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVZECGJBLOMRBMV-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.62
Rot. Bonds

About 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine

4a,7a-dimethyl-7H-cyclopenta[b]pyrazine (PubChem CID 68952124) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name4a,7a-dimethyl-7H-cyclopenta[b]pyrazine
PubChem CID68952124
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4a,7a-dimethyl-7H-cyclopenta[b]pyrazine
SMILESCC12C=CCC1(C)N=CC=N2
InChIInChI=1S/C9H12N2/c1-8-4-3-5-9(8,2)11-7-6-10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVZECGJBLOMRBMV-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.62
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 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine?
The IUPAC name of 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine (CID 68952124) is 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine.
What is the SMILES notation for 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine?
The canonical SMILES for 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine is CC12C=CCC1(C)N=CC=N2.
What is the InChIKey of 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine?
The InChIKey is VZECGJBLOMRBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-4-3-5-9(8,2)11-7-6-10-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine?
4a,7a-dimethyl-7H-cyclopenta[b]pyrazine has a molecular weight of 148.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,7a-dimethyl-7H-cyclopenta[b]pyrazine is sourced from PubChem (CID 68952124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).