6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)

C57H57N23Y5 — CID 159365501

About 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)

6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium) (PubChem CID 159365501) has the molecular formula C57H57N23Y5 and a molecular weight of 1508.77 g/mol. Its IUPAC name is 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium).

Molecular Properties

• Compound Name: 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)
• PubChem CID: 159365501
• Molecular Formula: C57H57N23Y5
• Molecular Weight: 1508.77 g/mol
• Exact Mass: 1508.05
• IUPAC Name: 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)
• SMILES: Cc1nc2c(C)nc3cccnc3n2c1C.Cc1nc2c(C)nc3ccnnc3n2c1C.Cc1nc2c(C)nc3cnccc3n2c1C.Cc1nc2c(C)nc3cncnc3n2c1C.Cc1nc2c(C)nc3nccnc3n2c1C.[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/2C12H12N4.3C11H11N5.5Y/c1-7-9(3)16-11-4-5-13-6-10(11)14-8(2)12(16)15-7;1-7-9(3)16-11(15-7)8(2)14-10-5-4-6-13-12(10)16;1-6-8(3)16-10(15-6)7(2)14-9-4-12-5-13-11(9)16;1-6-8(3)16-10(15-6)7(2)14-9-11(16)13-5-4-12-9;1-6-8(3)16-10(14-6)7(2)13-9-4-5-12-15-11(9)16;;;;;/h2*4-6H,1-3H3;3*4-5H,1-3H3
• InChIKey: LJBQOBJUALBJTO-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 254.07 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1508.77
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)?

The IUPAC name of 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium) (CID 159365501) is 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium).

What is the SMILES notation for 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)?

The canonical SMILES for 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium) is Cc1nc2c(C)nc3cccnc3n2c1C.Cc1nc2c(C)nc3ccnnc3n2c1C.Cc1nc2c(C)nc3cnccc3n2c1C.Cc1nc2c(C)nc3cncnc3n2c1C.Cc1nc2c(C)nc3nccnc3n2c1C.[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)?

The InChIKey is LJBQOBJUALBJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N4.3C11H11N5.5Y/c1-7-9(3)16-11-4-5-13-6-10(11)14-8(2)12(16)15-7;1-7-9(3)16-11(15-7)8(2)14-10-5-4-6-13-12(10)16;1-6-8(3)16-10(15-6)7(2)14-9-4-12-5-13-11(9)16;1-6-8(3)16-10(15-6)7(2)14-9-11(16)13-5-4-12-9;1-6-8(3)16-10(14-6)7(2)13-9-4-5-12-15-11(9)16;;;;;/h2*4-6H,1-3H3;3*4-5H,1-3H3;;;;;.

What are the key properties of 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium)?

6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium) has a molecular weight of 1508.77 g/mol, XLogP of 9.19, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8,9-trimethylimidazo[2,1-h]pteridine;3,4,7-trimethyl-2,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene;3,4,7-trimethyl-2,5,8,12,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3,4,7-trimethyl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;pentakis(yttrium) is sourced from PubChem (CID 159365501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).