6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline

C16H11N5 — CID 62873862

IUPAC6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline
SMILESc1ccc(-c2nc(-c3ccc4nccnc4c3)n[nH]2)cc1
InChIInChI=1S/C16H11N5/c1-2-4-11(5-3-1)15-19-16(21-20-15)12-6-7-13-14(10-12)18-9-8-17-13/h1-10H,(H,19,20,21)
InChIKeyZSYPZRZQWANPOK-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.08
Rot. Bonds2

About 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline

6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline (PubChem CID 62873862) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline.

Molecular Properties

Compound Name6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline
PubChem CID62873862
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline
SMILESc1ccc(-c2nc(-c3ccc4nccnc4c3)n[nH]2)cc1
InChIInChI=1S/C16H11N5/c1-2-4-11(5-3-1)15-19-16(21-20-15)12-6-7-13-14(10-12)18-9-8-17-13/h1-10H,(H,19,20,21)
InChIKeyZSYPZRZQWANPOK-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
3-[5-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82569247
3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
CID 118529419
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225
4-(3-phenyl-1H-1,2,4-triazol-5-yl)benzonitrile
CID 61352383
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole
CID 170111224
3-(3-bromophenyl)-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 918292
3-(3,5-dinitrophenyl)-5-phenyl-1H-1,2,4-triazole
CID 3089181

Frequently Asked Questions

What is the IUPAC name of 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline?
The IUPAC name of 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline (CID 62873862) is 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline.
What is the SMILES notation for 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline?
The canonical SMILES for 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline is c1ccc(-c2nc(-c3ccc4nccnc4c3)n[nH]2)cc1.
What is the InChIKey of 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline?
The InChIKey is ZSYPZRZQWANPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-2-4-11(5-3-1)15-19-16(21-20-15)12-6-7-13-14(10-12)18-9-8-17-13/h1-10H,(H,19,20,21).
What are the key properties of 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline?
6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline has a molecular weight of 273.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline is sourced from PubChem (CID 62873862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).