2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

C7H6N6 — CID 80583618

IUPAC2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(N=[N+]=[N-])nn12
InChIInChI=1S/C7H6N6/c1-5-3-2-4-6-9-7(10-12-8)11-13(5)6/h2-4H,1H3
InChIKeyRUYQLRDOOZPQRV-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.98
Rot. Bonds1

About 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 80583618) has the molecular formula C7H6N6 and a molecular weight of 174.17 g/mol. Its IUPAC name is 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID80583618
Molecular FormulaC7H6N6
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(N=[N+]=[N-])nn12
InChIInChI=1S/C7H6N6/c1-5-3-2-4-6-9-7(10-12-8)11-13(5)6/h2-4H,1H3
InChIKeyRUYQLRDOOZPQRV-UHFFFAOYSA-N
XLogP1.98
TPSA78.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 80583618) is 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc2nc(N=[N+]=[N-])nn12.
What is the InChIKey of 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RUYQLRDOOZPQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6/c1-5-3-2-4-6-9-7(10-12-8)11-13(5)6/h2-4H,1H3.
What are the key properties of 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 174.17 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 80583618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).