11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide

C19H20N6O3 — CID 178111080

About 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide

11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide (PubChem CID 178111080) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide.

Molecular Properties

• Compound Name: 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
• PubChem CID: 178111080
• Molecular Formula: C19H20N6O3
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.16
• IUPAC Name: 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
• SMILES: COc1nc2c(ncn2C)c2c1c(C(N)=O)c(N)n2-c1c(C)ccc(O)c1C
• InChI: InChI=1S/C19H20N6O3/c1-8-5-6-10(26)9(2)14(8)25-15-11(12(16(25)20)17(21)27)19(28-4)23-18-13(15)22-7-24(18)3/h5-7,26H,20H2,1-4H3,(H2,21,27)
• InChIKey: JZZLODSDUAPTNP-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 134.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide?

The IUPAC name of 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide (CID 178111080) is 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide.

What is the SMILES notation for 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide?

The canonical SMILES for 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide is COc1nc2c(ncn2C)c2c1c(C(N)=O)c(N)n2-c1c(C)ccc(O)c1C.

What is the InChIKey of 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide?

The InChIKey is JZZLODSDUAPTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-8-5-6-10(26)9(2)14(8)25-15-11(12(16(25)20)17(21)27)19(28-4)23-18-13(15)22-7-24(18)3/h5-7,26H,20H2,1-4H3,(H2,21,27).

What are the key properties of 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide?

11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide is sourced from PubChem (CID 178111080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).