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

C8H13N2+ — CID 7365224

IUPAC(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium
SMILESC[C@H]1CCC2=C1N=CC[NH2+]2
InChIInChI=1S/C8H12N2/c1-6-2-3-7-8(6)10-5-4-9-7/h5-6,9H,2-4H2,1H3/p+1/t6-/m0/s1
InChIKeyCOSMFKAROKURLX-LURJTMIESA-O
MW137.21 g/mol
LogP0.28
Rot. Bonds

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

(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium (PubChem CID 7365224) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium.

Molecular Properties

Compound Name(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium
PubChem CID7365224
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium
SMILESC[C@H]1CCC2=C1N=CC[NH2+]2
InChIInChI=1S/C8H12N2/c1-6-2-3-7-8(6)10-5-4-9-7/h5-6,9H,2-4H2,1H3/p+1/t6-/m0/s1
InChIKeyCOSMFKAROKURLX-LURJTMIESA-O
XLogP0.28
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium?
The IUPAC name of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium (CID 7365224) is (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium.
What is the SMILES notation for (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium?
The canonical SMILES for (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium is C[C@H]1CCC2=C1N=CC[NH2+]2.
What is the InChIKey of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium?
The InChIKey is COSMFKAROKURLX-LURJTMIESA-O. 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/p+1/t6-/m0/s1.
What are the key properties of (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium?
(5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium has a molecular weight of 137.21 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazin-1-ium is sourced from PubChem (CID 7365224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).