3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine

C8H12N2 — CID 89428744

IUPAC3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
SMILESCC1=NC2=C(CCC2)NC1
InChIInChI=1S/C8H12N2/c1-6-5-9-7-3-2-4-8(7)10-6/h9H,2-5H2,1H3
InChIKeyXHWQORHIKJFLBE-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine

3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine (PubChem CID 89428744) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
PubChem CID89428744
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
SMILESCC1=NC2=C(CCC2)NC1
InChIInChI=1S/C8H12N2/c1-6-5-9-7-3-2-4-8(7)10-6/h9H,2-5H2,1H3
InChIKeyXHWQORHIKJFLBE-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
The IUPAC name of 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine (CID 89428744) is 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine.
What is the SMILES notation for 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
The canonical SMILES for 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine is CC1=NC2=C(CCC2)NC1.
What is the InChIKey of 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
The InChIKey is XHWQORHIKJFLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-5-9-7-3-2-4-8(7)10-6/h9H,2-5H2,1H3.
What are the key properties of 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine is sourced from PubChem (CID 89428744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).