lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide

C6H4LiN3 — CID 134971062

IUPAClithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
SMILES[Li+].[c-]1cccc2ncnn12
InChIInChI=1S/C6H4N3.Li/c1-2-4-9-6(3-1)7-5-8-9;/h1-3,5H;/q-1;+1
InChIKeyUIUNXTLBPGTWDJ-UHFFFAOYSA-N
MW125.06 g/mol
LogP-2.47
Rot. Bonds

About lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide

lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide (PubChem CID 134971062) has the molecular formula C6H4LiN3 and a molecular weight of 125.06 g/mol. Its IUPAC name is lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide.

Molecular Properties

Compound Namelithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
PubChem CID134971062
Molecular FormulaC6H4LiN3
Molecular Weight125.06 g/mol
Exact Mass125.06
IUPAC Namelithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
SMILES[Li+].[c-]1cccc2ncnn12
InChIInChI=1S/C6H4N3.Li/c1-2-4-9-6(3-1)7-5-8-9;/h1-3,5H;/q-1;+1
InChIKeyUIUNXTLBPGTWDJ-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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Related Compounds

5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
Lithium 5-methyl-1-phenyl-1,2,4-triazole
CID 58162954
lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine
CID 59276337
CID 59806643
CID 59806643
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 87139281
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042
1-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 117607455
6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 117729130

Frequently Asked Questions

What is the IUPAC name of lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide?
The IUPAC name of lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide (CID 134971062) is lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide.
What is the SMILES notation for lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide?
The canonical SMILES for lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide is [Li+].[c-]1cccc2ncnn12.
What is the InChIKey of lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide?
The InChIKey is UIUNXTLBPGTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.Li/c1-2-4-9-6(3-1)7-5-8-9;/h1-3,5H;/q-1;+1.
What are the key properties of lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide?
lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-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 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide is sourced from PubChem (CID 134971062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).