4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline

C16H16BrFN6 — CID 58475558

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESFc1cc(Br)cc2c1nc(N1CCN3CCCC3C1)c1ncnn12
InChIInChI=1S/C16H16BrFN6/c17-10-6-12(18)14-13(7-10)24-15(19-9-20-24)16(21-14)23-5-4-22-3-1-2-11(22)8-23/h6-7,9,11H,1-5,8H2
InChIKeyTVSUVNFKHVKCIJ-UHFFFAOYSA-N
MW391.25 g/mol
LogP2.46
Rot. Bonds1

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline (PubChem CID 58475558) has the molecular formula C16H16BrFN6 and a molecular weight of 391.25 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline
PubChem CID58475558
Molecular FormulaC16H16BrFN6
Molecular Weight391.25 g/mol
Exact Mass390.06
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESFc1cc(Br)cc2c1nc(N1CCN3CCCC3C1)c1ncnn12
InChIInChI=1S/C16H16BrFN6/c17-10-6-12(18)14-13(7-10)24-15(19-9-20-24)16(21-14)23-5-4-22-3-1-2-11(22)8-23/h6-7,9,11H,1-5,8H2
InChIKeyTVSUVNFKHVKCIJ-UHFFFAOYSA-N
XLogP2.46
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline with MolForge

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-fluoro-8-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-a]quinoxaline
CID 143957617
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 162659141
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluoropyrimidin-2-amine
CID 80831677
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine
CID 11379923
2-(5-bromo-3-nitro-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79919408
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80854580
2-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79954339
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80930087
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3,5-difluoroaniline
CID 68696444
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline (CID 58475558) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline is Fc1cc(Br)cc2c1nc(N1CCN3CCCC3C1)c1ncnn12.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline?
The InChIKey is TVSUVNFKHVKCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN6/c17-10-6-12(18)14-13(7-10)24-15(19-9-20-24)16(21-14)23-5-4-22-3-1-2-11(22)8-23/h6-7,9,11H,1-5,8H2.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline has a molecular weight of 391.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]quinoxaline is sourced from PubChem (CID 58475558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).