7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

C16H12BrClN4 — CID 123975800

IUPAC7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2cc(Br)ccc2n2c(C3=CCCC=C3Cl)nnc12
InChIInChI=1S/C16H12BrClN4/c1-9-15-20-21-16(11-4-2-3-5-12(11)18)22(15)14-7-6-10(17)8-13(14)19-9/h4-8H,2-3H2,1H3
InChIKeyWAOBCRRYFVOLDU-UHFFFAOYSA-N
MW375.66 g/mol
LogP4.65
Rot. Bonds1

About 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 123975800) has the molecular formula C16H12BrClN4 and a molecular weight of 375.66 g/mol. Its IUPAC name is 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID123975800
Molecular FormulaC16H12BrClN4
Molecular Weight375.66 g/mol
Exact Mass373.99
IUPAC Name7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2cc(Br)ccc2n2c(C3=CCCC=C3Cl)nnc12
InChIInChI=1S/C16H12BrClN4/c1-9-15-20-21-16(11-4-2-3-5-12(11)18)22(15)14-7-6-10(17)8-13(14)19-9/h4-8H,2-3H2,1H3
InChIKeyWAOBCRRYFVOLDU-UHFFFAOYSA-N
XLogP4.65
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.66
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
1-Methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 399097
1-ethyl-N,N-dimethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 899295
1-Ethyl-N-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3163515
1-Ethyl-[1,2,4]triazolo[4,3-A]quinoxalin-4-amine
CID 13385711
1-methyl-N,N-dipropyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 802075
4-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 899290
4-Methyl-1-phenyl(1,2,4)triazolo(4,3-a)quinoxaline
CID 621327
8-Bromo-1-(2-chloro-5-trifluoromethyl-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 60151945
7-Bromo-1-(2-chloro-5-trifluoromethyl-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 60152089
N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 5307505
1-Ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 14783685

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 123975800) is 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nc2cc(Br)ccc2n2c(C3=CCCC=C3Cl)nnc12.
What is the InChIKey of 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is WAOBCRRYFVOLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4/c1-9-15-20-21-16(11-4-2-3-5-12(11)18)22(15)14-7-6-10(17)8-13(14)19-9/h4-8H,2-3H2,1H3.
What are the key properties of 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 375.66 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(6-chlorocyclohexa-1,5-dien-1-yl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 123975800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).