8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C9H11N3O2 — CID 118655908

IUPAC8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1cc(C)c(C)n2c(=O)[nH]nc12
InChIInChI=1S/C9H11N3O2/c1-5-4-7(14-3)8-10-11-9(13)12(8)6(5)2/h4H,1-3H3,(H,11,13)
InChIKeyCHMMANATPJTQOD-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.65
Rot. Bonds1

About 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 118655908) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID118655908
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1cc(C)c(C)n2c(=O)[nH]nc12
InChIInChI=1S/C9H11N3O2/c1-5-4-7(14-3)8-10-11-9(13)12(8)6(5)2/h4H,1-3H3,(H,11,13)
InChIKeyCHMMANATPJTQOD-UHFFFAOYSA-N
XLogP0.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 118655908) is 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is COc1cc(C)c(C)n2c(=O)[nH]nc12.
What is the InChIKey of 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is CHMMANATPJTQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-4-7(14-3)8-10-11-9(13)12(8)6(5)2/h4H,1-3H3,(H,11,13).
What are the key properties of 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 193.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,6-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 118655908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).