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

C9H5ClN4 — CID 1126118

IUPAC4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1nc2ccccc2n2cnnc12
InChIInChI=1S/C9H5ClN4/c10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8/h1-5H
InChIKeyNLAAGSHTVZHFTR-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.93
Rot. Bonds

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

4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 1126118) has the molecular formula C9H5ClN4 and a molecular weight of 204.62 g/mol. Its IUPAC name is 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID1126118
Molecular FormulaC9H5ClN4
Molecular Weight204.62 g/mol
Exact Mass204.02
IUPAC Name4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1nc2ccccc2n2cnnc12
InChIInChI=1S/C9H5ClN4/c10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8/h1-5H
InChIKeyNLAAGSHTVZHFTR-UHFFFAOYSA-N
XLogP1.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline (CID 1126118) is 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline is Clc1nc2ccccc2n2cnnc12.
What is the InChIKey of 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is NLAAGSHTVZHFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4/c10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8/h1-5H.
What are the key properties of 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline?
4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 204.62 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 1126118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).