3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

C13H11N3O — CID 117142227

IUPAC3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCc1ccccc1-c1n[nH]c2cccc(=O)n12
InChIInChI=1S/C13H11N3O/c1-9-5-2-3-6-10(9)13-15-14-11-7-4-8-12(17)16(11)13/h2-8,14H,1H3
InChIKeyBLDHIZZEKOXGPK-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.00
Rot. Bonds1

About 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117142227) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117142227
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCc1ccccc1-c1n[nH]c2cccc(=O)n12
InChIInChI=1S/C13H11N3O/c1-9-5-2-3-6-10(9)13-15-14-11-7-4-8-12(17)16(11)13/h2-8,14H,1H3
InChIKeyBLDHIZZEKOXGPK-UHFFFAOYSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117142227) is 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is Cc1ccccc1-c1n[nH]c2cccc(=O)n12.
What is the InChIKey of 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is BLDHIZZEKOXGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-5-2-3-6-10(9)13-15-14-11-7-4-8-12(17)16(11)13/h2-8,14H,1H3.
What are the key properties of 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117142227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).