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

Name: 4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₉ClN₄O — CID 135276051

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID	135276051
Molecular Formula	C₁₁H₉ClN₄O
Molecular Weight	248.67 g/mol
Exact Mass	248.05
IUPAC Name	4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILES	COc1cccc2c1nc(Cl)c1nnc(C)n12
InChI	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
InChIKey	OCAJVLMPKHESNL-UHFFFAOYSA-N
XLogP	2.25
TPSA	52.31 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.67
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 135276051 — identifiers, structure, computed properties (public domain)

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