Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one

C6H5N3NaO — CID 70507128

IUPAC—
SMILESO=c1[nH]nc2ccccn12.[Na]
InChIInChI=1S/C6H5N3O.Na/c10-6-8-7-5-3-1-2-4-9(5)6;/h1-4H,(H,8,10);
InChIKeyZZTYRNGNHWIJFN-UHFFFAOYSA-N
MW158.12 g/mol
LogP-0.36
Rot. Bonds

About Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one

Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one (PubChem CID 70507128) has the molecular formula C6H5N3NaO and a molecular weight of 158.12 g/mol.

Molecular Properties

Compound NameSodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one
PubChem CID70507128
Molecular FormulaC6H5N3NaO
Molecular Weight158.12 g/mol
Exact Mass158.03
IUPAC Name—
SMILESO=c1[nH]nc2ccccn12.[Na]
InChIInChI=1S/C6H5N3O.Na/c10-6-8-7-5-3-1-2-4-9(5)6;/h1-4H,(H,8,10);
InChIKeyZZTYRNGNHWIJFN-UHFFFAOYSA-N
XLogP-0.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one?
The IUPAC name of Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one (CID 70507128) is not available.
What is the SMILES notation for Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one?
The canonical SMILES for Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one is O=c1[nH]nc2ccccn12.[Na].
What is the InChIKey of Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one?
The InChIKey is ZZTYRNGNHWIJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.Na/c10-6-8-7-5-3-1-2-4-9(5)6;/h1-4H,(H,8,10);.
What are the key properties of Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one?
Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one has a molecular weight of 158.12 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one is sourced from PubChem (CID 70507128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).