5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium

C8H9N2+ — CID 140818675

IUPAC5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium
SMILESCC1=CC2C=CN=[N+]2C=C1
InChIInChI=1S/C8H9N2/c1-7-3-5-10-8(6-7)2-4-9-10/h2-6,8H,1H3/q+1
InChIKeyILLIBTHTNJLBEE-UHFFFAOYSA-N
MW133.17 g/mol
LogP1.82
Rot. Bonds

About 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium

5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium (PubChem CID 140818675) has the molecular formula C8H9N2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium.

Molecular Properties

Compound Name5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium
PubChem CID140818675
Molecular FormulaC8H9N2+
Molecular Weight133.17 g/mol
Exact Mass133.08
IUPAC Name5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium
SMILESCC1=CC2C=CN=[N+]2C=C1
InChIInChI=1S/C8H9N2/c1-7-3-5-10-8(6-7)2-4-9-10/h2-6,8H,1H3/q+1
InChIKeyILLIBTHTNJLBEE-UHFFFAOYSA-N
XLogP1.82
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.82
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

3,5-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium
CID 58047025
1-methylidene-8aH-indolizine
CID 67477419
(3E,4Z)-3,4-di(ethylidene)pyridazine
CID 88861141
4-ethenyl-1,2-dimethyl-2H-pyridine
CID 89393501
1,2,4-trimethyl-2H-pyridine
CID 89502861
8-Methyl-3,8a-dihydroindolizine
CID 89889483
3-methyl-7aH-indazole
CID 90179179
3-Ethylidene-4-(2-methylbut-2-enylidene)pyridazine
CID 90967966
1-ethenylidene-8aH-indolizine
CID 91378134
(3E,4Z)-4-(2-methylprop-2-enylidene)-3-propylidenepyridazine
CID 117904072
6-Methyl-3,8a-dihydroindolizine
CID 117982323
1-Methyl-3,8a-dihydroindolizine
CID 118179093

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium?
The IUPAC name of 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium (CID 140818675) is 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium.
What is the SMILES notation for 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium?
The canonical SMILES for 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium is CC1=CC2C=CN=[N+]2C=C1.
What is the InChIKey of 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium?
The InChIKey is ILLIBTHTNJLBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2/c1-7-3-5-10-8(6-7)2-4-9-10/h2-6,8H,1H3/q+1.
What are the key properties of 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium?
5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium has a molecular weight of 133.17 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3aH-pyrazolo[1,5-a]pyridin-8-ium is sourced from PubChem (CID 140818675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).