lithium 6H-triazolo[1,5-a]pyridin-6-ide

C6H4LiN3 — CID 23706833

IUPAClithium 6H-triazolo[1,5-a]pyridin-6-ide
SMILES[Li+].[c-]1ccc2cnnn2c1
InChIInChI=1S/C6H4N3.Li/c1-2-4-9-6(3-1)5-7-8-9;/h1,3-5H;/q-1;+1
InChIKeyYAJFWCSBMBPDIT-UHFFFAOYSA-N
MW125.06 g/mol
LogP-2.47
Rot. Bonds

About lithium 6H-triazolo[1,5-a]pyridin-6-ide

lithium 6H-triazolo[1,5-a]pyridin-6-ide (PubChem CID 23706833) has the molecular formula C6H4LiN3 and a molecular weight of 125.06 g/mol. Its IUPAC name is lithium 6H-triazolo[1,5-a]pyridin-6-ide.

Molecular Properties

Compound Namelithium 6H-triazolo[1,5-a]pyridin-6-ide
PubChem CID23706833
Molecular FormulaC6H4LiN3
Molecular Weight125.06 g/mol
Exact Mass125.06
IUPAC Namelithium 6H-triazolo[1,5-a]pyridin-6-ide
SMILES[Li+].[c-]1ccc2cnnn2c1
InChIInChI=1S/C6H4N3.Li/c1-2-4-9-6(3-1)5-7-8-9;/h1,3-5H;/q-1;+1
InChIKeyYAJFWCSBMBPDIT-UHFFFAOYSA-N
XLogP-2.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.06
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 6H-triazolo[1,5-a]pyridin-6-ide?
The IUPAC name of lithium 6H-triazolo[1,5-a]pyridin-6-ide (CID 23706833) is lithium 6H-triazolo[1,5-a]pyridin-6-ide.
What is the SMILES notation for lithium 6H-triazolo[1,5-a]pyridin-6-ide?
The canonical SMILES for lithium 6H-triazolo[1,5-a]pyridin-6-ide is [Li+].[c-]1ccc2cnnn2c1.
What is the InChIKey of lithium 6H-triazolo[1,5-a]pyridin-6-ide?
The InChIKey is YAJFWCSBMBPDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.Li/c1-2-4-9-6(3-1)5-7-8-9;/h1,3-5H;/q-1;+1.
What are the key properties of lithium 6H-triazolo[1,5-a]pyridin-6-ide?
lithium 6H-triazolo[1,5-a]pyridin-6-ide has a molecular weight of 125.06 g/mol, XLogP of -2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6H-triazolo[1,5-a]pyridin-6-ide is sourced from PubChem (CID 23706833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).