4-(1-methyltriazol-1-ium-2-yl)pyridine

C8H9N4+ — CID 58769485

IUPAC4-(1-methyltriazol-1-ium-2-yl)pyridine
SMILESC[n+]1ccnn1-c1ccncc1
InChIInChI=1S/C8H9N4/c1-11-7-6-10-12(11)8-2-4-9-5-3-8/h2-7H,1H3/q+1
InChIKeyBGIZSBJWXKIUID-UHFFFAOYSA-N
MW161.19 g/mol
LogP0.09
Rot. Bonds1

About 4-(1-methyltriazol-1-ium-2-yl)pyridine

4-(1-methyltriazol-1-ium-2-yl)pyridine (PubChem CID 58769485) has the molecular formula C8H9N4+ and a molecular weight of 161.19 g/mol. Its IUPAC name is 4-(1-methyltriazol-1-ium-2-yl)pyridine.

Molecular Properties

Compound Name4-(1-methyltriazol-1-ium-2-yl)pyridine
PubChem CID58769485
Molecular FormulaC8H9N4+
Molecular Weight161.19 g/mol
Exact Mass161.08
IUPAC Name4-(1-methyltriazol-1-ium-2-yl)pyridine
SMILESC[n+]1ccnn1-c1ccncc1
InChIInChI=1S/C8H9N4/c1-11-7-6-10-12(11)8-2-4-9-5-3-8/h2-7H,1H3/q+1
InChIKeyBGIZSBJWXKIUID-UHFFFAOYSA-N
XLogP0.09
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltriazol-1-ium-2-yl)pyridine?
The IUPAC name of 4-(1-methyltriazol-1-ium-2-yl)pyridine (CID 58769485) is 4-(1-methyltriazol-1-ium-2-yl)pyridine.
What is the SMILES notation for 4-(1-methyltriazol-1-ium-2-yl)pyridine?
The canonical SMILES for 4-(1-methyltriazol-1-ium-2-yl)pyridine is C[n+]1ccnn1-c1ccncc1.
What is the InChIKey of 4-(1-methyltriazol-1-ium-2-yl)pyridine?
The InChIKey is BGIZSBJWXKIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4/c1-11-7-6-10-12(11)8-2-4-9-5-3-8/h2-7H,1H3/q+1.
What are the key properties of 4-(1-methyltriazol-1-ium-2-yl)pyridine?
4-(1-methyltriazol-1-ium-2-yl)pyridine has a molecular weight of 161.19 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltriazol-1-ium-2-yl)pyridine is sourced from PubChem (CID 58769485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).