(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine

C8H12N2 — CID 7365225

IUPAC(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
SMILESC[C@H]1CCC2=C1N=CCN2
InChIInChI=1S/C8H12N2/c1-6-2-3-7-8(6)10-5-4-9-7/h5-6,9H,2-4H2,1H3/t6-/m0/s1
InChIKeyCOSMFKAROKURLX-LURJTMIESA-N
MW136.20 g/mol
LogP1.30
Rot. Bonds

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

(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine (PubChem CID 7365225) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
PubChem CID7365225
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
SMILESC[C@H]1CCC2=C1N=CCN2
InChIInChI=1S/C8H12N2/c1-6-2-3-7-8(6)10-5-4-9-7/h5-6,9H,2-4H2,1H3/t6-/m0/s1
InChIKeyCOSMFKAROKURLX-LURJTMIESA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
The IUPAC name of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine (CID 7365225) is (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine.
What is the SMILES notation for (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
The canonical SMILES for (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine is C[C@H]1CCC2=C1N=CCN2.
What is the InChIKey of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
The InChIKey is COSMFKAROKURLX-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2/c1-6-2-3-7-8(6)10-5-4-9-7/h5-6,9H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine?
(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine is sourced from PubChem (CID 7365225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).