4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

C11H9ClN4O — CID 135276051

IUPAC4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc2c1nc(Cl)c1nnc(C)n12
InChIInChI=1S/C11H9ClN4O/c1-6-14-15-11-10(12)13-9-7(16(6)11)4-3-5-8(9)17-2/h3-5H,1-2H3
InChIKeyOCAJVLMPKHESNL-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.25
Rot. Bonds1

About 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 135276051) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID135276051
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1cccc2c1nc(Cl)c1nnc(C)n12
InChIInChI=1S/C11H9ClN4O/c1-6-14-15-11-10(12)13-9-7(16(6)11)4-3-5-8(9)17-2/h3-5H,1-2H3
InChIKeyOCAJVLMPKHESNL-UHFFFAOYSA-N
XLogP2.25
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 135276051) is 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is COc1cccc2c1nc(Cl)c1nnc(C)n12.
What is the InChIKey of 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is OCAJVLMPKHESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-6-14-15-11-10(12)13-9-7(16(6)11)4-3-5-8(9)17-2/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 248.67 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 135276051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).