4-butylimidazo[1,5-a]pyridin-4-ium

C11H15N2+ — CID 68830232

IUPAC4-butylimidazo[1,5-a]pyridin-4-ium
SMILESCCCC[N+]12C=CC=CC1=CN=C2
InChIInChI=1S/C11H15N2/c1-2-3-7-13-8-5-4-6-11(13)9-12-10-13/h4-6,8-10H,2-3,7H2,1H3/q+1
InChIKeyKGIHNQMICXHRHC-UHFFFAOYSA-N
MW175.25 g/mol
LogP2.57
Rot. Bonds3

About 4-butylimidazo[1,5-a]pyridin-4-ium

4-butylimidazo[1,5-a]pyridin-4-ium (PubChem CID 68830232) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-butylimidazo[1,5-a]pyridin-4-ium.

Molecular Properties

Compound Name4-butylimidazo[1,5-a]pyridin-4-ium
PubChem CID68830232
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name4-butylimidazo[1,5-a]pyridin-4-ium
SMILESCCCC[N+]12C=CC=CC1=CN=C2
InChIInChI=1S/C11H15N2/c1-2-3-7-13-8-5-4-6-11(13)9-12-10-13/h4-6,8-10H,2-3,7H2,1H3/q+1
InChIKeyKGIHNQMICXHRHC-UHFFFAOYSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butylimidazo[1,5-a]pyridin-4-ium?
The IUPAC name of 4-butylimidazo[1,5-a]pyridin-4-ium (CID 68830232) is 4-butylimidazo[1,5-a]pyridin-4-ium.
What is the SMILES notation for 4-butylimidazo[1,5-a]pyridin-4-ium?
The canonical SMILES for 4-butylimidazo[1,5-a]pyridin-4-ium is CCCC[N+]12C=CC=CC1=CN=C2.
What is the InChIKey of 4-butylimidazo[1,5-a]pyridin-4-ium?
The InChIKey is KGIHNQMICXHRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-2-3-7-13-8-5-4-6-11(13)9-12-10-13/h4-6,8-10H,2-3,7H2,1H3/q+1.
What are the key properties of 4-butylimidazo[1,5-a]pyridin-4-ium?
4-butylimidazo[1,5-a]pyridin-4-ium has a molecular weight of 175.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylimidazo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 68830232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).