2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine

C11H18N2 — CID 121223689

IUPAC2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
SMILESCCC1=NC2CCCC2N=C1CC
InChIInChI=1S/C11H18N2/c1-3-8-9(4-2)13-11-7-5-6-10(11)12-8/h10-11H,3-7H2,1-2H3
InChIKeyPXSLHJXLSLRLAY-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.62
Rot. Bonds2

About 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine

2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine (PubChem CID 121223689) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
PubChem CID121223689
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine
SMILESCCC1=NC2CCCC2N=C1CC
InChIInChI=1S/C11H18N2/c1-3-8-9(4-2)13-11-7-5-6-10(11)12-8/h10-11H,3-7H2,1-2H3
InChIKeyPXSLHJXLSLRLAY-UHFFFAOYSA-N
XLogP2.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The IUPAC name of 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine (CID 121223689) is 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine.
What is the SMILES notation for 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The canonical SMILES for 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine is CCC1=NC2CCCC2N=C1CC.
What is the InChIKey of 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
The InChIKey is PXSLHJXLSLRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-8-9(4-2)13-11-7-5-6-10(11)12-8/h10-11H,3-7H2,1-2H3.
What are the key properties of 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine?
2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine is sourced from PubChem (CID 121223689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).