4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one

C134H109F3N34O8 — CID 157093997

About 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one

4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one (PubChem CID 157093997) has the molecular formula C134H109F3N34O8 and a molecular weight of 2380.57 g/mol. Its IUPAC name is 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one.

Molecular Properties

• Compound Name: 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one
• PubChem CID: 157093997
• Molecular Formula: C134H109F3N34O8
• Molecular Weight: 2380.57 g/mol
• Exact Mass: 2378.91
• IUPAC Name: 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one
• SMILES: CCC(=O)c1ccc(CN2Cc3ccc4nccn4c3C2=O)cc1.Cc1ccc(CN2Cc3ccc4nccn4c3C2=O)cn1.O=C1c2c(ccc3nccn23)CN1Cc1c(F)cc(-c2ccc3ncccc3c2)cc1F.O=C1c2c(ccc3nccn23)CN1Cc1ccc(-n2cccn2)cc1F.O=C1c2c(ccc3nccn23)CN1Cc1ccc(-n2ccnn2)cn1.O=C1c2c(ccc3nccn23)CN1Cc1ccc(-n2nccn2)cc1.O=C1c2c(ccc3nccn23)CN1Cc1ccc(N2CCCCC2)nc1
• InChI: InChI=1S/C25H16F2N4O.C20H21N5O.C19H14FN5O.C19H17N3O2.C18H14N6O.C17H13N7O.C16H14N4O/c26-20-11-18(15-3-5-22-16(10-15)2-1-7-28-22)12-21(27)19(20)14-30-13-17-4-6-23-29-8-9-31(23)24(17)25(30)32;26-20-19-16(5-7-18-21-8-11-25(18)19)14-24(20)13-15-4-6-17(22-12-15)23-9-2-1-3-10-23;20-16-10-15(25-8-1-6-22-25)4-2-13(16)11-23-12-14-3-5-17-21-7-9-24(17)18(14)19(23)26;1-2-16(23)14-5-3-13(4-6-14)11-21-12-15-7-8-17-20-9-10-22(17)18(15)19(21)24;25-18-17-14(3-6-16-19-9-10-23(16)17)12-22(18)11-13-1-4-15(5-2-13)24-20-7-8-21-24;25-17-16-12(1-4-15-18-5-7-23(15)16)10-22(17)11-13-2-3-14(9-19-13)24-8-6-20-21-24;1-11-2-3-12(8-18-11)9-19-10-13-4-5-14-17-6-7-20(14)15(13)16(19)21/h1-12H,13-14H2;4-8,11-12H,1-3,9-10,13-14H2;1-10H,11-12H2;3-10H,2,11-12H2,1H3;1-10H,11-12H2;1-9H,10-11H2;2-8H,9-10H2,1H3
• InChIKey: AEZKPJSRQPCUDQ-UHFFFAOYSA-N
• XLogP: 19.49
• TPSA: 414.38 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2380.57
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one?

The IUPAC name of 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one (CID 157093997) is 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one.

What is the SMILES notation for 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one?

The canonical SMILES for 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one is CCC(=O)c1ccc(CN2Cc3ccc4nccn4c3C2=O)cc1.Cc1ccc(CN2Cc3ccc4nccn4c3C2=O)cn1.O=C1c2c(ccc3nccn23)CN1Cc1c(F)cc(-c2ccc3ncccc3c2)cc1F.O=C1c2c(ccc3nccn23)CN1Cc1ccc(-n2cccn2)cc1F.O=C1c2c(ccc3nccn23)CN1Cc1ccc(-n2ccnn2)cn1.O=C1c2c(ccc3nccn23)CN1Cc1ccc(-n2nccn2)cc1.O=C1c2c(ccc3nccn23)CN1Cc1ccc(N2CCCCC2)nc1.

What is the InChIKey of 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one?

The InChIKey is AEZKPJSRQPCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N4O.C20H21N5O.C19H14FN5O.C19H17N3O2.C18H14N6O.C17H13N7O.C16H14N4O/c26-20-11-18(15-3-5-22-16(10-15)2-1-7-28-22)12-21(27)19(20)14-30-13-17-4-6-23-29-8-9-31(23)24(17)25(30)32;26-20-19-16(5-7-18-21-8-11-25(18)19)14-24(20)13-15-4-6-17(22-12-15)23-9-2-1-3-10-23;20-16-10-15(25-8-1-6-22-25)4-2-13(16)11-23-12-14-3-5-17-21-7-9-24(17)18(14)19(23)26;1-2-16(23)14-5-3-13(4-6-14)11-21-12-15-7-8-17-20-9-10-22(17)18(15)19(21)24;25-18-17-14(3-6-16-19-9-10-23(16)17)12-22(18)11-13-1-4-15(5-2-13)24-20-7-8-21-24;25-17-16-12(1-4-15-18-5-7-23(15)16)10-22(17)11-13-2-3-14(9-19-13)24-8-6-20-21-24;1-11-2-3-12(8-18-11)9-19-10-13-4-5-14-17-6-7-20(14)15(13)16(19)21/h1-12H,13-14H2;4-8,11-12H,1-3,9-10,13-14H2;1-10H,11-12H2;3-10H,2,11-12H2,1H3;1-10H,11-12H2;1-9H,10-11H2;2-8H,9-10H2,1H3.

What are the key properties of 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one?

4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one has a molecular weight of 2380.57 g/mol, XLogP of 19.49, 21 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-difluoro-4-quinolin-6-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-methyl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[(4-propanoylphenyl)methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[4-(triazol-2-yl)phenyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one;4-[[5-(triazol-1-yl)-2-pyridinyl]methyl]-1,4,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-one is sourced from PubChem (CID 157093997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).