5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane

C9H16N2 — CID 91013647

IUPAC5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane
SMILESC1=NC2CCCC2N=C1.CC
InChIInChI=1S/C7H10N2.C2H6/c1-2-6-7(3-1)9-5-4-8-6;1-2/h4-7H,1-3H2;1-2H3
InChIKeyULZBUHILDBRPHK-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds

About 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane

5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane (PubChem CID 91013647) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane
PubChem CID91013647
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane
SMILESC1=NC2CCCC2N=C1.CC
InChIInChI=1S/C7H10N2.C2H6/c1-2-6-7(3-1)9-5-4-8-6;1-2/h4-7H,1-3H2;1-2H3
InChIKeyULZBUHILDBRPHK-UHFFFAOYSA-N
XLogP2.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane?
The IUPAC name of 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane (CID 91013647) is 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane.
What is the SMILES notation for 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane?
The canonical SMILES for 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane is C1=NC2CCCC2N=C1.CC.
What is the InChIKey of 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane?
The InChIKey is ULZBUHILDBRPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-2-6-7(3-1)9-5-4-8-6;1-2/h4-7H,1-3H2;1-2H3.
What are the key properties of 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane?
5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane has a molecular weight of 152.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyrazine;ethane is sourced from PubChem (CID 91013647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).