7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium

C9H16N3+ — CID 158261460

IUPAC7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium
SMILESCC(C)N1CC[N+]2=CCN=C2C1
InChIInChI=1S/C9H16N3/c1-8(2)12-6-5-11-4-3-10-9(11)7-12/h4,8H,3,5-7H2,1-2H3/q+1
InChIKeyFUZHBDVZZXNYES-UHFFFAOYSA-N
MW166.25 g/mol
LogP0.21
Rot. Bonds1

About 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium

7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium (PubChem CID 158261460) has the molecular formula C9H16N3+ and a molecular weight of 166.25 g/mol. Its IUPAC name is 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium.

Molecular Properties

Compound Name7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium
PubChem CID158261460
Molecular FormulaC9H16N3+
Molecular Weight166.25 g/mol
Exact Mass166.13
IUPAC Name7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium
SMILESCC(C)N1CC[N+]2=CCN=C2C1
InChIInChI=1S/C9H16N3/c1-8(2)12-6-5-11-4-3-10-9(11)7-12/h4,8H,3,5-7H2,1-2H3/q+1
InChIKeyFUZHBDVZZXNYES-UHFFFAOYSA-N
XLogP0.21
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 157079316
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
CID 130728343
5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170633792
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
1-bromo-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 167225410
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
3,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 176646471
N-methyl-1-propan-2-ylpyrrolidin-3-imine
CID 129120591
1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 138649460
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164720435
2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium?
The IUPAC name of 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium (CID 158261460) is 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium.
What is the SMILES notation for 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium?
The canonical SMILES for 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium is CC(C)N1CC[N+]2=CCN=C2C1.
What is the InChIKey of 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium?
The InChIKey is FUZHBDVZZXNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3/c1-8(2)12-6-5-11-4-3-10-9(11)7-12/h4,8H,3,5-7H2,1-2H3/q+1.
What are the key properties of 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium?
7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium has a molecular weight of 166.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium is sourced from PubChem (CID 158261460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).