1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium

C9H20N3+ — CID 11601256

IUPAC1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium
SMILESCN1CC[N+]2(C)CCN(C)C2C1
InChIInChI=1S/C9H20N3/c1-10-4-6-12(3)7-5-11(2)9(12)8-10/h9H,4-8H2,1-3H3/q+1
InChIKeyDTLIVALGDNYMSK-UHFFFAOYSA-N
MW170.28 g/mol
LogP-0.35
Rot. Bonds

About 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium

1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium (PubChem CID 11601256) has the molecular formula C9H20N3+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium.

Molecular Properties

Compound Name1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium
PubChem CID11601256
Molecular FormulaC9H20N3+
Molecular Weight170.28 g/mol
Exact Mass170.17
IUPAC Name1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium
SMILESCN1CC[N+]2(C)CCN(C)C2C1
InChIInChI=1S/C9H20N3/c1-10-4-6-12(3)7-5-11(2)9(12)8-10/h9H,4-8H2,1-3H3/q+1
InChIKeyDTLIVALGDNYMSK-UHFFFAOYSA-N
XLogP-0.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium with MolForge

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Related Compounds

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CID 21340666
1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
CID 145359851
1-tert-butyl-1,4-dimethylpiperazin-1-ium
CID 58529148
ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
1-(2-bromoethyl)-1,4-dimethylpiperazin-1-ium iodide
CID 21465026
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
1,4,7-trimethyl-1,4,7-triazonan-2-amine
CID 91169471
(3R)-1,3-dimethylpyrrolidine
CID 58412242
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
3-ethynyl-1-methylpyrrolidine
CID 89319838

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium?
The IUPAC name of 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium (CID 11601256) is 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium.
What is the SMILES notation for 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium?
The canonical SMILES for 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium is CN1CC[N+]2(C)CCN(C)C2C1.
What is the InChIKey of 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium?
The InChIKey is DTLIVALGDNYMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3/c1-10-4-6-12(3)7-5-11(2)9(12)8-10/h9H,4-8H2,1-3H3/q+1.
What are the key properties of 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium?
1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium has a molecular weight of 170.28 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium is sourced from PubChem (CID 11601256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).