N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

C20H16F3N7O2 — CID 121265781

About N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide

N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 121265781) has the molecular formula C20H16F3N7O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
• PubChem CID: 121265781
• Molecular Formula: C20H16F3N7O2
• Molecular Weight: 443.39 g/mol
• Exact Mass: 443.13
• IUPAC Name: N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
• SMILES: Nc1ncnc2c3c(n(-c4ccc(NC(=O)Cc5nnc(C(F)(F)F)o5)cc4)c12)CCC3
• InChI: InChI=1S/C20H16F3N7O2/c21-20(22,23)19-29-28-15(32-19)8-14(31)27-10-4-6-11(7-5-10)30-13-3-1-2-12(13)16-17(30)18(24)26-9-25-16/h4-7,9H,1-3,8H2,(H,27,31)(H2,24,25,26)
• InChIKey: UUOWINDICUBEPA-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.39
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?

The IUPAC name of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 121265781) is N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?

The canonical SMILES for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is Nc1ncnc2c3c(n(-c4ccc(NC(=O)Cc5nnc(C(F)(F)F)o5)cc4)c12)CCC3.

What is the InChIKey of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?

The InChIKey is UUOWINDICUBEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O2/c21-20(22,23)19-29-28-15(32-19)8-14(31)27-10-4-6-11(7-5-10)30-13-3-1-2-12(13)16-17(30)18(24)26-9-25-16/h4-7,9H,1-3,8H2,(H,27,31)(H2,24,25,26).

What are the key properties of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide?

N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 443.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 121265781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).