1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium

C9H15N2+ — CID 178148892

IUPAC1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium
SMILESCC1=NC(C)C2=[N+]1CCCC2
InChIInChI=1S/C9H15N2/c1-7-9-5-3-4-6-11(9)8(2)10-7/h7H,3-6H2,1-2H3/q+1
InChIKeyCDMLETBZADLWMZ-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.44
Rot. Bonds

About 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium

1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium (PubChem CID 178148892) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium.

Molecular Properties

Compound Name1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium
PubChem CID178148892
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium
SMILESCC1=NC(C)C2=[N+]1CCCC2
InChIInChI=1S/C9H15N2/c1-7-9-5-3-4-6-11(9)8(2)10-7/h7H,3-6H2,1-2H3/q+1
InChIKeyCDMLETBZADLWMZ-UHFFFAOYSA-N
XLogP1.44
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71341111
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
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7-ethoxy-2-methyl-3,4,5,6-tetrahydro-2H-azepine
CID 45090927
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12778912
[(3R)-2,3-dimethylcyclopenten-1-yl]oxy-trimethylsilane
CID 99771342
2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine
CID 146729626
(1E,3Z,5Z)-1,6-dimethylcyclodeca-1,3,5-triene
CID 121014169
[(1E,7E)-2,7-dimethyl-8-trimethylsilyloxycycloocta-1,7-dien-1-yl]oxy-trimethylsilane
CID 5359143

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium?
The IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium (CID 178148892) is 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium.
What is the SMILES notation for 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium?
The canonical SMILES for 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium is CC1=NC(C)C2=[N+]1CCCC2.
What is the InChIKey of 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium?
The InChIKey is CDMLETBZADLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2/c1-7-9-5-3-4-6-11(9)8(2)10-7/h7H,3-6H2,1-2H3/q+1.
What are the key properties of 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium?
1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium has a molecular weight of 151.23 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 178148892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).