1-methyl-7H-imidazo[4,5-c]pyridin-5-ium

C7H8N3+ — CID 57039142

IUPAC1-methyl-7H-imidazo[4,5-c]pyridin-5-ium
SMILESCn1cnc2c1CC=[N+]=C2
InChIInChI=1S/C7H8N3/c1-10-5-9-6-4-8-3-2-7(6)10/h3-5H,2H2,1H3/q+1
InChIKeyHWYIMCIYRUWDDF-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.47
Rot. Bonds

About 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium

1-methyl-7H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 57039142) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name1-methyl-7H-imidazo[4,5-c]pyridin-5-ium
PubChem CID57039142
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name1-methyl-7H-imidazo[4,5-c]pyridin-5-ium
SMILESCn1cnc2c1CC=[N+]=C2
InChIInChI=1S/C7H8N3/c1-10-5-9-6-4-8-3-2-7(6)10/h3-5H,2H2,1H3/q+1
InChIKeyHWYIMCIYRUWDDF-UHFFFAOYSA-N
XLogP-0.47
TPSA31.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium?
The IUPAC name of 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium (CID 57039142) is 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium?
The canonical SMILES for 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium is Cn1cnc2c1CC=[N+]=C2.
What is the InChIKey of 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium?
The InChIKey is HWYIMCIYRUWDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c1-10-5-9-6-4-8-3-2-7(6)10/h3-5H,2H2,1H3/q+1.
What are the key properties of 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium?
1-methyl-7H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 134.16 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 57039142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).