5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine

C216H157F18N65O5S3 — CID 157109155

IUPAC5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine
SMILESFF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(-c2n[nH]c(-c3cc4ccccc4[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3cc4ccccc4o3)n2)cc1.c1ccc(-c2n[nH]c(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2n[nH]c(-c3ccc[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2n[nH]c(-c3ccco3)n2)cc1.c1ccc(-c2n[nH]c(-c3cccs3)n2)cc1.c1ccc(-c2n[nH]c(-c3cnccn3)n2)cc1.c1ccc(-c2n[nH]c(-c3nc4ccccc4o3)n2)cc1.c1ccc(-c2n[nH]c(-c3nc4ccccc4s3)n2)cc1.c1ccc(-c2n[nH]c(-c3ncc[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3ncco3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)n[nH]2)cc1.c1ccc(-c2nc(-c3ccnnc3)n[nH]2)cc1.c1ccc(-c2nc(-c3ccoc3)n[nH]2)cc1.c1ncnc(-c2n[nH]c(-c3ncncn3)n2)n1
InChIInChI=1S/2C18H13N3.C16H12N4.C16H11N3O.C16H11N3S.C15H10N4O.C15H10N4S.2C12H9N5.C12H10N4.2C12H9N3O.C12H9N3S.C11H9N5.C11H8N4O.C8H5N9.9F2/c1-2-8-14(9-3-1)17-19-18(21-20-17)16-12-6-10-13-7-4-5-11-15(13)16;1-2-7-14(8-3-1)17-19-18(21-20-17)16-11-10-13-6-4-5-9-15(13)12-16;1-2-6-11(7-3-1)15-18-16(20-19-15)14-10-12-8-4-5-9-13(12)17-14;2*1-2-6-11(7-3-1)15-17-16(19-18-15)14-10-12-8-4-5-9-13(12)20-14;2*1-2-6-10(7-3-1)13-17-14(19-18-13)15-16-11-8-4-5-9-12(11)20-15;1-2-4-9(5-3-1)11-15-12(17-16-11)10-8-13-6-7-14-10;1-2-4-9(5-3-1)11-15-12(17-16-11)10-6-7-13-14-8-10;1-2-5-9(6-3-1)11-14-12(16-15-11)10-7-4-8-13-10;1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10;1-2-4-9(5-3-1)11-13-12(15-14-11)10-6-7-16-8-10;1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10;1-2-4-8(5-3-1)9-14-11(16-15-9)10-12-6-7-13-10;1-2-4-8(5-3-1)9-13-10(15-14-9)11-12-6-7-16-11;1-9-2-12-5(11-1)7-15-8(17-16-7)6-13-3-10-4-14-6;9*1-2/h2*1-12H,(H,19,20,21);1-10,17H,(H,18,19,20);2*1-10H,(H,17,18,19);2*1-9H,(H,17,18,19);2*1-8H,(H,15,16,17);1-8,13H,(H,14,15,16);3*1-8H,(H,13,14,15);1-7H,(H,12,13)(H,14,15,16);1-7H,(H,13,14,15);1-4H,(H,15,16,17);;;;;;;;;
InChIKeyAGQJRZGFBXLVHG-UHFFFAOYSA-N
MW4181.25 g/mol
LogP53.52
Rot. Bonds32

About 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine

5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine (PubChem CID 157109155) has the molecular formula C216H157F18N65O5S3 and a molecular weight of 4181.25 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine
PubChem CID157109155
Molecular FormulaC216H157F18N65O5S3
Molecular Weight4181.25 g/mol
Exact Mass4178.29
IUPAC Name5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine
SMILESFF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(-c2n[nH]c(-c3cc4ccccc4[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3cc4ccccc4o3)n2)cc1.c1ccc(-c2n[nH]c(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2n[nH]c(-c3ccc[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2n[nH]c(-c3ccco3)n2)cc1.c1ccc(-c2n[nH]c(-c3cccs3)n2)cc1.c1ccc(-c2n[nH]c(-c3cnccn3)n2)cc1.c1ccc(-c2n[nH]c(-c3nc4ccccc4o3)n2)cc1.c1ccc(-c2n[nH]c(-c3nc4ccccc4s3)n2)cc1.c1ccc(-c2n[nH]c(-c3ncc[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3ncco3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)n[nH]2)cc1.c1ccc(-c2nc(-c3ccnnc3)n[nH]2)cc1.c1ccc(-c2nc(-c3ccoc3)n[nH]2)cc1.c1ncnc(-c2n[nH]c(-c3ncncn3)n2)n1
InChIInChI=1S/2C18H13N3.C16H12N4.C16H11N3O.C16H11N3S.C15H10N4O.C15H10N4S.2C12H9N5.C12H10N4.2C12H9N3O.C12H9N3S.C11H9N5.C11H8N4O.C8H5N9.9F2/c1-2-8-14(9-3-1)17-19-18(21-20-17)16-12-6-10-13-7-4-5-11-15(13)16;1-2-7-14(8-3-1)17-19-18(21-20-17)16-11-10-13-6-4-5-9-15(13)12-16;1-2-6-11(7-3-1)15-18-16(20-19-15)14-10-12-8-4-5-9-13(12)17-14;2*1-2-6-11(7-3-1)15-17-16(19-18-15)14-10-12-8-4-5-9-13(12)20-14;2*1-2-6-10(7-3-1)13-17-14(19-18-13)15-16-11-8-4-5-9-12(11)20-15;1-2-4-9(5-3-1)11-15-12(17-16-11)10-8-13-6-7-14-10;1-2-4-9(5-3-1)11-15-12(17-16-11)10-6-7-13-14-8-10;1-2-5-9(6-3-1)11-14-12(16-15-11)10-7-4-8-13-10;1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10;1-2-4-9(5-3-1)11-13-12(15-14-11)10-6-7-16-8-10;1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10;1-2-4-8(5-3-1)9-14-11(16-15-9)10-12-6-7-13-10;1-2-4-8(5-3-1)9-13-10(15-14-9)11-12-6-7-16-11;1-9-2-12-5(11-1)7-15-8(17-16-7)6-13-3-10-4-14-6;9*1-2/h2*1-12H,(H,19,20,21);1-10,17H,(H,18,19,20);2*1-10H,(H,17,18,19);2*1-9H,(H,17,18,19);2*1-8H,(H,15,16,17);1-8,13H,(H,14,15,16);3*1-8H,(H,13,14,15);1-7H,(H,12,13)(H,14,15,16);1-7H,(H,13,14,15);1-4H,(H,15,16,17);;;;;;;;;
InChIKeyAGQJRZGFBXLVHG-UHFFFAOYSA-N
XLogP53.52
TPSA958.65 Ų
H-Bond Donors19
H-Bond Acceptors54
Rotatable Bonds32
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004181.25
LogP ≤ 553.52
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1054

Analyze 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
CID 141050991
2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran
CID 141190760
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
CID 141275777
2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
CID 141050959
4-[2-(1-benzothiophen-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-3-thiophen-2-yl-1-benzofuran-5-yl]-1H-benzotriazole
CID 141105122
4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole
CID 141116198
6-(1H-benzimidazol-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(furan-2-yl)-3,5-bis(1H-indol-2-yl)chromen-2-one
CID 141056962
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-1,3-benzothiazole
CID 141189608
1-[6-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-7-quinolin-2-yl-2-benzofuran-1-yl]isoquinoline
CID 141080144
2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole
CID 141180704
5-[4-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1H-tetrazole
CID 141051880
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 137248275

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine?
The IUPAC name of 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine (CID 157109155) is 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine is FF.FF.FF.FF.FF.FF.FF.FF.FF.c1ccc(-c2n[nH]c(-c3cc4ccccc4[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3cc4ccccc4o3)n2)cc1.c1ccc(-c2n[nH]c(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2n[nH]c(-c3ccc[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2n[nH]c(-c3ccco3)n2)cc1.c1ccc(-c2n[nH]c(-c3cccs3)n2)cc1.c1ccc(-c2n[nH]c(-c3cnccn3)n2)cc1.c1ccc(-c2n[nH]c(-c3nc4ccccc4o3)n2)cc1.c1ccc(-c2n[nH]c(-c3nc4ccccc4s3)n2)cc1.c1ccc(-c2n[nH]c(-c3ncc[nH]3)n2)cc1.c1ccc(-c2n[nH]c(-c3ncco3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)n[nH]2)cc1.c1ccc(-c2nc(-c3ccnnc3)n[nH]2)cc1.c1ccc(-c2nc(-c3ccoc3)n[nH]2)cc1.c1ncnc(-c2n[nH]c(-c3ncncn3)n2)n1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine?
The InChIKey is AGQJRZGFBXLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13N3.C16H12N4.C16H11N3O.C16H11N3S.C15H10N4O.C15H10N4S.2C12H9N5.C12H10N4.2C12H9N3O.C12H9N3S.C11H9N5.C11H8N4O.C8H5N9.9F2/c1-2-8-14(9-3-1)17-19-18(21-20-17)16-12-6-10-13-7-4-5-11-15(13)16;1-2-7-14(8-3-1)17-19-18(21-20-17)16-11-10-13-6-4-5-9-15(13)12-16;1-2-6-11(7-3-1)15-18-16(20-19-15)14-10-12-8-4-5-9-13(12)17-14;2*1-2-6-11(7-3-1)15-17-16(19-18-15)14-10-12-8-4-5-9-13(12)20-14;2*1-2-6-10(7-3-1)13-17-14(19-18-13)15-16-11-8-4-5-9-12(11)20-15;1-2-4-9(5-3-1)11-15-12(17-16-11)10-8-13-6-7-14-10;1-2-4-9(5-3-1)11-15-12(17-16-11)10-6-7-13-14-8-10;1-2-5-9(6-3-1)11-14-12(16-15-11)10-7-4-8-13-10;1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10;1-2-4-9(5-3-1)11-13-12(15-14-11)10-6-7-16-8-10;1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10;1-2-4-8(5-3-1)9-14-11(16-15-9)10-12-6-7-13-10;1-2-4-8(5-3-1)9-13-10(15-14-9)11-12-6-7-16-11;1-9-2-12-5(11-1)7-15-8(17-16-7)6-13-3-10-4-14-6;9*1-2/h2*1-12H,(H,19,20,21);1-10,17H,(H,18,19,20);2*1-10H,(H,17,18,19);2*1-9H,(H,17,18,19);2*1-8H,(H,15,16,17);1-8,13H,(H,14,15,16);3*1-8H,(H,13,14,15);1-7H,(H,12,13)(H,14,15,16);1-7H,(H,13,14,15);1-4H,(H,15,16,17);;;;;;;;;.
What are the key properties of 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine?
5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine has a molecular weight of 4181.25 g/mol, XLogP of 53.52, 32 rotatable bonds, 19 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1-benzothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole;3-(furan-3-yl)-5-phenyl-1H-1,2,4-triazole;5-(furan-2-yl)-3-phenyl-1H-1,2,4-triazole;5-(1H-imidazol-2-yl)-3-phenyl-1H-1,2,4-triazole;molecular fluorine;3-naphthalen-2-yl-5-phenyl-1H-1,2,4-triazole;5-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole;3-phenyl-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazole;3-phenyl-5-thiophen-2-yl-1H-1,2,4-triazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-indole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-oxazole;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine;4-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridazine;2-[3-(1,3,5-triazin-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,5-triazine is sourced from PubChem (CID 157109155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).