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

C6H5LiN4 — CID 59276337

IUPAClithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine
SMILESNc1nc2ccc[c-]n2n1.[Li+]
InChIInChI=1S/C6H5N4.Li/c7-6-8-5-3-1-2-4-10(5)9-6;/h1-3H,(H2,7,9);/q-1;+1
InChIKeyHQAKVUUQYJBETJ-UHFFFAOYSA-N
MW140.07 g/mol
LogP-2.88
Rot. Bonds

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

lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine (PubChem CID 59276337) has the molecular formula C6H5LiN4 and a molecular weight of 140.07 g/mol. Its IUPAC name is lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine.

Molecular Properties

Compound Namelithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine
PubChem CID59276337
Molecular FormulaC6H5LiN4
Molecular Weight140.07 g/mol
Exact Mass140.07
IUPAC Namelithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine
SMILESNc1nc2ccc[c-]n2n1.[Li+]
InChIInChI=1S/C6H5N4.Li/c7-6-8-5-3-1-2-4-10(5)9-6;/h1-3H,(H2,7,9);/q-1;+1
InChIKeyHQAKVUUQYJBETJ-UHFFFAOYSA-N
XLogP-2.88
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine?
The IUPAC name of lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine (CID 59276337) is lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine.
What is the SMILES notation for lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine?
The canonical SMILES for lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine is Nc1nc2ccc[c-]n2n1.[Li+].
What is the InChIKey of lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine?
The InChIKey is HQAKVUUQYJBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N4.Li/c7-6-8-5-3-1-2-4-10(5)9-6;/h1-3H,(H2,7,9);/q-1;+1.
What are the key properties of lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine?
lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine has a molecular weight of 140.07 g/mol, XLogP of -2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-id-2-amine is sourced from PubChem (CID 59276337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).