6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline

C19H13F2N5S — CID 20821238

IUPAC6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline
SMILESCc1nc(Sc2nc3cc(F)c(F)cc3nc2/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C19H13F2N5S/c1-11-22-19(26-25-11)27-18-15(8-7-12-5-3-2-4-6-12)23-16-9-13(20)14(21)10-17(16)24-18/h2-10H,1H3,(H,22,25,26)/b8-7+
InChIKeyUUOPDBSZIZKSSV-BQYQJAHWSA-N
MW381.41 g/mol
LogP4.66
Rot. Bonds4

About 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline

6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline (PubChem CID 20821238) has the molecular formula C19H13F2N5S and a molecular weight of 381.41 g/mol. Its IUPAC name is 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline.

Molecular Properties

Compound Name6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline
PubChem CID20821238
Molecular FormulaC19H13F2N5S
Molecular Weight381.41 g/mol
Exact Mass381.09
IUPAC Name6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline
SMILESCc1nc(Sc2nc3cc(F)c(F)cc3nc2/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C19H13F2N5S/c1-11-22-19(26-25-11)27-18-15(8-7-12-5-3-2-4-6-12)23-16-9-13(20)14(21)10-17(16)24-18/h2-10H,1H3,(H,22,25,26)/b8-7+
InChIKeyUUOPDBSZIZKSSV-BQYQJAHWSA-N
XLogP4.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline with MolForge

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Related Compounds

6,7-dichloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline
CID 20821213
6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
CID 22341125
1-[2-fluoro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 61347453
6,7-difluoro-2-(2-phenylethenyl)quinoline
CID 57258860
6-[(E)-2-(3-fluorophenyl)ethenyl]phenanthridine
CID 10870278
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-4-phenyl-1,3-thiazole
CID 18708868
3-(chloromethyl)-2-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline
CID 10542587
3-bromo-5-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 105368449
1-[2-fluoro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-2-amine
CID 114066525
3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole
CID 55029322
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
1-(2-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42092034

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline?
The IUPAC name of 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline (CID 20821238) is 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline.
What is the SMILES notation for 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline?
The canonical SMILES for 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline is Cc1nc(Sc2nc3cc(F)c(F)cc3nc2/C=C/c2ccccc2)n[nH]1.
What is the InChIKey of 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline?
The InChIKey is UUOPDBSZIZKSSV-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H13F2N5S/c1-11-22-19(26-25-11)27-18-15(8-7-12-5-3-2-4-6-12)23-16-9-13(20)14(21)10-17(16)24-18/h2-10H,1H3,(H,22,25,26)/b8-7+.
What are the key properties of 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline?
6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline has a molecular weight of 381.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline is sourced from PubChem (CID 20821238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).