2,6-bis(2H-triazol-4-yl)pyridine

C9H7N7 — CID 90693344

IUPAC2,6-bis(2H-triazol-4-yl)pyridine
SMILESc1cc(-c2cn[nH]n2)nc(-c2cn[nH]n2)c1
InChIInChI=1S/C9H7N7/c1-2-6(8-4-10-15-13-8)12-7(3-1)9-5-11-16-14-9/h1-5H,(H,10,13,15)(H,11,14,16)
InChIKeyGTUXTIISPOXPEF-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.65
Rot. Bonds2

About 2,6-bis(2H-triazol-4-yl)pyridine

2,6-bis(2H-triazol-4-yl)pyridine (PubChem CID 90693344) has the molecular formula C9H7N7 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,6-bis(2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(2H-triazol-4-yl)pyridine
PubChem CID90693344
Molecular FormulaC9H7N7
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name2,6-bis(2H-triazol-4-yl)pyridine
SMILESc1cc(-c2cn[nH]n2)nc(-c2cn[nH]n2)c1
InChIInChI=1S/C9H7N7/c1-2-6(8-4-10-15-13-8)12-7(3-1)9-5-11-16-14-9/h1-5H,(H,10,13,15)(H,11,14,16)
InChIKeyGTUXTIISPOXPEF-UHFFFAOYSA-N
XLogP0.65
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2H-triazol-4-yl)pyridine?
The IUPAC name of 2,6-bis(2H-triazol-4-yl)pyridine (CID 90693344) is 2,6-bis(2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2,6-bis(2H-triazol-4-yl)pyridine?
The canonical SMILES for 2,6-bis(2H-triazol-4-yl)pyridine is c1cc(-c2cn[nH]n2)nc(-c2cn[nH]n2)c1.
What is the InChIKey of 2,6-bis(2H-triazol-4-yl)pyridine?
The InChIKey is GTUXTIISPOXPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7/c1-2-6(8-4-10-15-13-8)12-7(3-1)9-5-11-16-14-9/h1-5H,(H,10,13,15)(H,11,14,16).
What are the key properties of 2,6-bis(2H-triazol-4-yl)pyridine?
2,6-bis(2H-triazol-4-yl)pyridine has a molecular weight of 213.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2H-triazol-4-yl)pyridine is sourced from PubChem (CID 90693344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).