7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol

C76H82N8O10 — CID 91234961

About 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol

7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol (PubChem CID 91234961) has the molecular formula C76H82N8O10 and a molecular weight of 1267.54 g/mol. Its IUPAC name is 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol
• PubChem CID: 91234961
• Molecular Formula: C76H82N8O10
• Molecular Weight: 1267.54 g/mol
• Exact Mass: 1266.62
• IUPAC Name: 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol
• SMILES: C=Cc1cc([C@@H]2O[C@H](CC)[C@H]3OC(C)(C)O[C@]32C)n2ncnc(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)c12.CC[C@H]1O[C@@H](c2cc(C(O)CO)c3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)ncnn23)[C@]2(C)OC(C)(C)O[C@H]12
• InChI: InChI=1S/C38H42N4O6.C38H40N4O4/c1-6-31-34-37(4,48-36(2,3)47-34)33(46-31)29-21-28(30(44)22-43)32-35(39-23-40-42(29)32)41-38(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(45-5)20-18-26;1-7-25-23-30(33-37(5)34(31(8-2)44-33)45-36(3,4)46-37)42-32(25)35(39-24-40-42)41-38(26-15-11-9-12-16-26,27-17-13-10-14-18-27)28-19-21-29(43-6)22-20-28/h7-21,23,30-31,33-34,43-44H,6,22H2,1-5H3,(H,39,40,41);7,9-24,31,33-34H,1,8H2,2-6H3,(H,39,40,41)/t30?,31-,33+,34-,37+;31-,33+,34-,37+/m11/s1
• InChIKey: GRNKTKUJWDNBBP-FYQCJCHVSA-N
• XLogP: 13.47
• TPSA: 198.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1267.54
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol?

The IUPAC name of 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol (CID 91234961) is 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol.

What is the SMILES notation for 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol?

The canonical SMILES for 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol is C=Cc1cc([C@@H]2O[C@H](CC)[C@H]3OC(C)(C)O[C@]32C)n2ncnc(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)c12.CC[C@H]1O[C@@H](c2cc(C(O)CO)c3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)ncnn23)[C@]2(C)OC(C)(C)O[C@H]12.

What is the InChIKey of 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol?

The InChIKey is GRNKTKUJWDNBBP-FYQCJCHVSA-N. The full InChI is InChI=1S/C38H42N4O6.C38H40N4O4/c1-6-31-34-37(4,48-36(2,3)47-34)33(46-31)29-21-28(30(44)22-43)32-35(39-23-40-42(29)32)41-38(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(45-5)20-18-26;1-7-25-23-30(33-37(5)34(31(8-2)44-33)45-36(3,4)46-37)42-32(25)35(39-24-40-42)41-38(26-15-11-9-12-16-26,27-17-13-10-14-18-27)28-19-21-29(43-6)22-20-28/h7-21,23,30-31,33-34,43-44H,6,22H2,1-5H3,(H,39,40,41);7,9-24,31,33-34H,1,8H2,2-6H3,(H,39,40,41)/t30?,31-,33+,34-,37+;31-,33+,34-,37+/m11/s1.

What are the key properties of 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol?

7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol has a molecular weight of 1267.54 g/mol, XLogP of 13.47, 19 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-ethenyl-N-[(4-methoxyphenyl)-diphenylmethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethane-1,2-diol is sourced from PubChem (CID 91234961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).