7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine

C7H6N6 — CID 86671437

IUPAC7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILES[N-]=[N+]=NCc1ccn2ncnc2c1
InChIInChI=1S/C7H6N6/c8-12-10-4-6-1-2-13-7(3-6)9-5-11-13/h1-3,5H,4H2
InChIKeyTWXYYBJNHBGRBB-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.54
Rot. Bonds2

About 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine

7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 86671437) has the molecular formula C7H6N6 and a molecular weight of 174.17 g/mol. Its IUPAC name is 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID86671437
Molecular FormulaC7H6N6
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILES[N-]=[N+]=NCc1ccn2ncnc2c1
InChIInChI=1S/C7H6N6/c8-12-10-4-6-1-2-13-7(3-6)9-5-11-13/h1-3,5H,4H2
InChIKeyTWXYYBJNHBGRBB-UHFFFAOYSA-N
XLogP1.54
TPSA78.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.54
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 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 86671437) is 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine is [N-]=[N+]=NCc1ccn2ncnc2c1.
What is the InChIKey of 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is TWXYYBJNHBGRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6/c8-12-10-4-6-1-2-13-7(3-6)9-5-11-13/h1-3,5H,4H2.
What are the key properties of 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 174.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azidomethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 86671437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).