8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C15H17ClN6 — CID 58475616

IUPAC8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1cc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl
InChIInChI=1S/C15H17ClN6/c1-10-7-12-13(8-11(10)16)22-9-17-19-15(22)14(18-12)21-5-3-20(2)4-6-21/h7-9H,3-6H2,1-2H3
InChIKeyYHDJROYOEFBZJE-UHFFFAOYSA-N
MW316.80 g/mol
LogP1.99
Rot. Bonds1

About 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 58475616) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID58475616
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC Name8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1cc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl
InChIInChI=1S/C15H17ClN6/c1-10-7-12-13(8-11(10)16)22-9-17-19-15(22)14(18-12)21-5-3-20(2)4-6-21/h7-9H,3-6H2,1-2H3
InChIKeyYHDJROYOEFBZJE-UHFFFAOYSA-N
XLogP1.99
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475826
12-chloro-11-isocyano-7-(4-methylpiperazin-1-yl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 123807903
4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
CID 58475593
8-chloro-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475453
8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline
CID 53380276
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431420
8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431422
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline
CID 58475383
7-fluoro-8-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline
CID 90922100
4-[4-(2-methoxyphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20880232
[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 15989785
8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
CID 66686772

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 58475616) is 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1cc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl.
What is the InChIKey of 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is YHDJROYOEFBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-10-7-12-13(8-11(10)16)22-9-17-19-15(22)14(18-12)21-5-3-20(2)4-6-21/h7-9H,3-6H2,1-2H3.
What are the key properties of 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 316.80 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 58475616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).