1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline

C12H14BrN5O2S — CID 106468005

IUPAC1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)c2c(Br)nnn2C)c2ccccc21
InChIInChI=1S/C12H14BrN5O2S/c1-16-7-8-18(10-6-4-3-5-9(10)16)21(19,20)12-11(13)14-15-17(12)2/h3-6H,7-8H2,1-2H3
InChIKeyHBOJSUIGMPPJGM-UHFFFAOYSA-N
MW372.25 g/mol
LogP1.22
Rot. Bonds2

About 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline

1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline (PubChem CID 106468005) has the molecular formula C12H14BrN5O2S and a molecular weight of 372.25 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
PubChem CID106468005
Molecular FormulaC12H14BrN5O2S
Molecular Weight372.25 g/mol
Exact Mass371.01
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)c2c(Br)nnn2C)c2ccccc21
InChIInChI=1S/C12H14BrN5O2S/c1-16-7-8-18(10-6-4-3-5-9(10)16)21(19,20)12-11(13)14-15-17(12)2/h3-6H,7-8H2,1-2H3
InChIKeyHBOJSUIGMPPJGM-UHFFFAOYSA-N
XLogP1.22
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline (CID 106468005) is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline is CN1CCN(S(=O)(=O)c2c(Br)nnn2C)c2ccccc21.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is HBOJSUIGMPPJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2S/c1-16-7-8-18(10-6-4-3-5-9(10)16)21(19,20)12-11(13)14-15-17(12)2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline?
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 372.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 106468005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).