8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

C10H9N5 — CID 68510837

IUPAC8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1cncc1-c1cccn2cnnc12
InChIInChI=1S/C10H9N5/c1-14-6-11-5-9(14)8-3-2-4-15-7-12-13-10(8)15/h2-7H,1H3
InChIKeyZCQZXUDQROIIHL-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.13
Rot. Bonds1

About 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 68510837) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID68510837
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1cncc1-c1cccn2cnnc12
InChIInChI=1S/C10H9N5/c1-14-6-11-5-9(14)8-3-2-4-15-7-12-13-10(8)15/h2-7H,1H3
InChIKeyZCQZXUDQROIIHL-UHFFFAOYSA-N
XLogP1.13
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 68510837) is 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is Cn1cncc1-c1cccn2cnnc12.
What is the InChIKey of 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZCQZXUDQROIIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-14-6-11-5-9(14)8-3-2-4-15-7-12-13-10(8)15/h2-7H,1H3.
What are the key properties of 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 199.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 68510837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).