1,5,6,7-tetrahydrocyclopenta[b]pyrazine

C7H8N2 — CID 129059957

IUPAC1,5,6,7-tetrahydrocyclopenta[b]pyrazine
SMILESC1=CNC2=C(CCC2)N=1
InChIInChI=1S/C7H8N2/c1-2-6-7(3-1)9-5-4-8-6/h4,8H,1-3H2
InChIKeyUCACTCKDXSPCDU-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.17
Rot. Bonds

About 1,5,6,7-tetrahydrocyclopenta[b]pyrazine

1,5,6,7-tetrahydrocyclopenta[b]pyrazine (PubChem CID 129059957) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 1,5,6,7-tetrahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name1,5,6,7-tetrahydrocyclopenta[b]pyrazine
PubChem CID129059957
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name1,5,6,7-tetrahydrocyclopenta[b]pyrazine
SMILESC1=CNC2=C(CCC2)N=1
InChIInChI=1S/C7H8N2/c1-2-6-7(3-1)9-5-4-8-6/h4,8H,1-3H2
InChIKeyUCACTCKDXSPCDU-UHFFFAOYSA-N
XLogP1.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydrocyclopenta[b]pyrazine?
The IUPAC name of 1,5,6,7-tetrahydrocyclopenta[b]pyrazine (CID 129059957) is 1,5,6,7-tetrahydrocyclopenta[b]pyrazine.
What is the SMILES notation for 1,5,6,7-tetrahydrocyclopenta[b]pyrazine?
The canonical SMILES for 1,5,6,7-tetrahydrocyclopenta[b]pyrazine is C1=CNC2=C(CCC2)N=1.
What is the InChIKey of 1,5,6,7-tetrahydrocyclopenta[b]pyrazine?
The InChIKey is UCACTCKDXSPCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-7(3-1)9-5-4-8-6/h4,8H,1-3H2.
What are the key properties of 1,5,6,7-tetrahydrocyclopenta[b]pyrazine?
1,5,6,7-tetrahydrocyclopenta[b]pyrazine has a molecular weight of 120.15 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 129059957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).