1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C125H130N14O18 — CID 158922293

About 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 158922293) has the molecular formula C125H130N14O18 and a molecular weight of 2116.49 g/mol. Its IUPAC name is 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

• Compound Name: 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
• PubChem CID: 158922293
• Molecular Formula: C125H130N14O18
• Molecular Weight: 2116.49 g/mol
• Exact Mass: 2114.97
• IUPAC Name: 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
• SMILES: COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(C=O)cc(=O)c(OCc3ccccc3)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(CN3CCCC3)cc(=O)c(O)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(CN3CCCC3)cc(=O)c(OCc3ccccc3)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(CO)cc(=O)c(OCc3ccccc3)c2C1=O
• InChI: InChI=1S/C35H38N4O4.C31H31N3O5.C31H29N3O5.C28H32N4O4/c1-42-22-21-37-26-38(32(28-15-7-3-8-16-28)29-17-9-4-10-18-29)39-30(24-36-19-11-12-20-36)23-31(40)34(33(39)35(37)41)43-25-27-13-5-2-6-14-27;2*1-38-18-17-32-22-33(28(24-13-7-3-8-14-24)25-15-9-4-10-16-25)34-26(20-35)19-27(36)30(29(34)31(32)37)39-21-23-11-5-2-6-12-23;1-36-17-16-30-20-31(25(21-10-4-2-5-11-21)22-12-6-3-7-13-22)32-23(19-29-14-8-9-15-29)18-24(33)27(34)26(32)28(30)35/h2-10,13-18,23,32H,11-12,19-22,24-26H2,1H3;2-16,19,28,35H,17-18,20-22H2,1H3;2-16,19-20,28H,17-18,21-22H2,1H3;2-7,10-13,18,25,34H,8-9,14-17,19-20H2,1H3
• InChIKey: JHZFNUBWIKKYRM-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 310.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2116.49
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

The IUPAC name of 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 158922293) is 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

What is the SMILES notation for 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

The canonical SMILES for 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(C=O)cc(=O)c(OCc3ccccc3)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(CN3CCCC3)cc(=O)c(O)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(CN3CCCC3)cc(=O)c(OCc3ccccc3)c2C1=O.COCCN1CN(C(c2ccccc2)c2ccccc2)n2c(CO)cc(=O)c(OCc3ccccc3)c2C1=O.

What is the InChIKey of 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

The InChIKey is JHZFNUBWIKKYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O4.C31H31N3O5.C31H29N3O5.C28H32N4O4/c1-42-22-21-37-26-38(32(28-15-7-3-8-16-28)29-17-9-4-10-18-29)39-30(24-36-19-11-12-20-36)23-31(40)34(33(39)35(37)41)43-25-27-13-5-2-6-14-27;2*1-38-18-17-32-22-33(28(24-13-7-3-8-14-24)25-15-9-4-10-16-25)34-26(20-35)19-27(36)30(29(34)31(32)37)39-21-23-11-5-2-6-12-23;1-36-17-16-30-20-31(25(21-10-4-2-5-11-21)22-12-6-3-7-13-22)32-23(19-29-14-8-9-15-29)18-24(33)27(34)26(32)28(30)35/h2-10,13-18,23,32H,11-12,19-22,24-26H2,1H3;2-16,19,28,35H,17-18,20-22H2,1H3;2-16,19-20,28H,17-18,21-22H2,1H3;2-7,10-13,18,25,34H,8-9,14-17,19-20H2,1H3.

What are the key properties of 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?

1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 2116.49 g/mol, XLogP of 15.48, 39 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-8-(hydroxymethyl)-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-8-carbaldehyde;1-benzhydryl-3-(2-methoxyethyl)-5-phenylmethoxy-8-(pyrrolidin-1-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 158922293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).