8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C15H17BrN6 — CID 142398520

IUPAC8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC1CN(c2nnc3cnc4ccc(Br)cc4n23)CC(C)N1
InChIInChI=1S/C15H17BrN6/c1-9-7-21(8-10(2)18-9)15-20-19-14-6-17-12-4-3-11(16)5-13(12)22(14)15/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyGJZFPBVBIUZLKM-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.23
Rot. Bonds1

About 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 142398520) has the molecular formula C15H17BrN6 and a molecular weight of 361.25 g/mol. Its IUPAC name is 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID142398520
Molecular FormulaC15H17BrN6
Molecular Weight361.25 g/mol
Exact Mass360.07
IUPAC Name8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC1CN(c2nnc3cnc4ccc(Br)cc4n23)CC(C)N1
InChIInChI=1S/C15H17BrN6/c1-9-7-21(8-10(2)18-9)15-20-19-14-6-17-12-4-3-11(16)5-13(12)22(14)15/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyGJZFPBVBIUZLKM-UHFFFAOYSA-N
XLogP2.23
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 140574337
1-[2-fluoro-4-[1-[(3S)-3,4,5-trimethylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 170547724
3-[2-chloro-4-[1-[(3S)-3,4,5-trimethylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 170547725
3-[2-fluoro-4-[1-[(3S)-3,4,5-trimethylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 170547710
2-[4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenyl]-2-methylpropanenitrile
CID 66803303
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153
4-[(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholin-3-one
CID 175882153
7-bromo-1-methylquinoxalin-2-one
CID 12826370
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797309
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
CID 81450399
1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 79535406
(4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 175436291

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 142398520) is 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is CC1CN(c2nnc3cnc4ccc(Br)cc4n23)CC(C)N1.
What is the InChIKey of 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is GJZFPBVBIUZLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6/c1-9-7-21(8-10(2)18-9)15-20-19-14-6-17-12-4-3-11(16)5-13(12)22(14)15/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 361.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(3,5-dimethylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 142398520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).