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

C8H8ClN3O2 — CID 118655903

IUPAC6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1cc(Cl)c(C)n2c(=O)[nH]nc12
InChIInChI=1S/C8H8ClN3O2/c1-4-5(9)3-6(14-2)7-10-11-8(13)12(4)7/h3H,1-2H3,(H,11,13)
InChIKeyJDHUNSOMLSYATI-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.99
Rot. Bonds1

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

6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 118655903) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID118655903
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1cc(Cl)c(C)n2c(=O)[nH]nc12
InChIInChI=1S/C8H8ClN3O2/c1-4-5(9)3-6(14-2)7-10-11-8(13)12(4)7/h3H,1-2H3,(H,11,13)
InChIKeyJDHUNSOMLSYATI-UHFFFAOYSA-N
XLogP0.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 118655903) is 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is COc1cc(Cl)c(C)n2c(=O)[nH]nc12.
What is the InChIKey of 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JDHUNSOMLSYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-4-5(9)3-6(14-2)7-10-11-8(13)12(4)7/h3H,1-2H3,(H,11,13).
What are the key properties of 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 213.62 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxy-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 118655903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).