4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium

C11H16N5+ — CID 67364893

IUPAC4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium
SMILESC[N+]12C=CN=CC1=C(N1CCNCC1)N=C2
InChIInChI=1S/C11H16N5/c1-16-7-4-13-8-10(16)11(14-9-16)15-5-2-12-3-6-15/h4,7-9,12H,2-3,5-6H2,1H3/q+1
InChIKeyHXRGGOAUHMNKHK-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.10
Rot. Bonds1

About 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium

4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium (PubChem CID 67364893) has the molecular formula C11H16N5+ and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium.

Molecular Properties

Compound Name4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium
PubChem CID67364893
Molecular FormulaC11H16N5+
Molecular Weight218.28 g/mol
Exact Mass218.14
IUPAC Name4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium
SMILESC[N+]12C=CN=CC1=C(N1CCNCC1)N=C2
InChIInChI=1S/C11H16N5/c1-16-7-4-13-8-10(16)11(14-9-16)15-5-2-12-3-6-15/h4,7-9,12H,2-3,5-6H2,1H3/q+1
InChIKeyHXRGGOAUHMNKHK-UHFFFAOYSA-N
XLogP0.10
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperazin-1-yl]ethanone
CID 67363171
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine
CID 131145902
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
6-methyl-5-piperazin-1-yl-1,2,4-triazine
CID 116823260
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
2-piperazin-1-yl-1,3,5-triazine
CID 2760673

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium?
The IUPAC name of 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium (CID 67364893) is 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium.
What is the SMILES notation for 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium?
The canonical SMILES for 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium is C[N+]12C=CN=CC1=C(N1CCNCC1)N=C2.
What is the InChIKey of 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium?
The InChIKey is HXRGGOAUHMNKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N5/c1-16-7-4-13-8-10(16)11(14-9-16)15-5-2-12-3-6-15/h4,7-9,12H,2-3,5-6H2,1H3/q+1.
What are the key properties of 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium?
4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium has a molecular weight of 218.28 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperazin-1-ylimidazo[1,5-a]pyrazin-4-ium is sourced from PubChem (CID 67364893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).