1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane

C121H116F4N12O22 — CID 157251256

About 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane

1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane (PubChem CID 157251256) has the molecular formula C121H116F4N12O22 and a molecular weight of 2166.31 g/mol. Its IUPAC name is 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane.

Molecular Properties

• Compound Name: 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane
• PubChem CID: 157251256
• Molecular Formula: C121H116F4N12O22
• Molecular Weight: 2166.31 g/mol
• Exact Mass: 2164.83
• IUPAC Name: 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane
• SMILES: C.COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(OCc3ccccc3)c2C1=O.COCCN1CNn2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O
• InChI: InChI=1S/C39H35F2N3O5.C31H29N3O6.C26H25F2N3O5.C24H23N3O6.CH4/c1-48-22-21-42-26-44(35(29-13-7-3-8-14-29)30-15-9-4-10-16-30)43-24-32(34(45)20-18-28-17-19-31(40)23-33(28)41)37(46)38(36(43)39(42)47)49-25-27-11-5-2-6-12-27;1-39-18-17-32-21-34(26(23-13-7-3-8-14-23)24-15-9-4-10-16-24)33-19-25(31(37)38)28(35)29(27(33)30(32)36)40-20-22-11-5-2-6-12-22;1-35-12-11-30-16-29-31-14-20(22(32)10-8-18-7-9-19(27)13-21(18)28)24(33)25(23(31)26(30)34)36-15-17-5-3-2-4-6-17;1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30;/h2-17,19,23-24,35H,18,20-22,25-26H2,1H3;2-16,19,26H,17-18,20-21H2,1H3,(H,37,38);2-7,9,13-14,29H,8,10-12,15-16H2,1H3;2-11,14,19,29H,12-13,15H2,1H3,(H,31,32);1H4
• InChIKey: AWJHVXIGTLZJKS-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 384.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.31
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane?

The IUPAC name of 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane (CID 157251256) is 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane.

What is the SMILES notation for 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane?

The canonical SMILES for 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane is C.COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(OCc3ccccc3)c2C1=O.COCCN1CNn2cc(C(=O)CCc3ccc(F)cc3F)c(=O)c(OCc3ccccc3)c2C1=O.

What is the InChIKey of 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane?

The InChIKey is AWJHVXIGTLZJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35F2N3O5.C31H29N3O6.C26H25F2N3O5.C24H23N3O6.CH4/c1-48-22-21-42-26-44(35(29-13-7-3-8-14-29)30-15-9-4-10-16-30)43-24-32(34(45)20-18-28-17-19-31(40)23-33(28)41)37(46)38(36(43)39(42)47)49-25-27-11-5-2-6-12-27;1-39-18-17-32-21-34(26(23-13-7-3-8-14-23)24-15-9-4-10-16-24)33-19-25(31(37)38)28(35)29(27(33)30(32)36)40-20-22-11-5-2-6-12-22;1-35-12-11-30-16-29-31-14-20(22(32)10-8-18-7-9-19(27)13-21(18)28)24(33)25(23(31)26(30)34)36-15-17-5-3-2-4-6-17;1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30;/h2-17,19,23-24,35H,18,20-22,25-26H2,1H3;2-16,19,26H,17-18,20-21H2,1H3,(H,37,38);2-7,9,13-14,29H,8,10-12,15-16H2,1H3;2-11,14,19,29H,12-13,15H2,1H3,(H,31,32);1H4.

What are the key properties of 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane?

1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane has a molecular weight of 2166.31 g/mol, XLogP of 16.02, 40 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane is sourced from PubChem (CID 157251256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).