8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione

C17H16F3N3O3 — CID 71817777

IUPAC8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)C(O)(C(F)(F)F)c1cccc3c1N2CCC3
InChIInChI=1S/C17H16F3N3O3/c1-21-13-11(14(24)22(2)15(21)25)16(26,17(18,19)20)10-7-3-5-9-6-4-8-23(13)12(9)10/h3,5,7,26H,4,6,8H2,1-2H3
InChIKeyFGTVDHWDQOEXTJ-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.28
Rot. Bonds

About 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione

8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione (PubChem CID 71817777) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione.

Molecular Properties

Compound Name8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione
PubChem CID71817777
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)C(O)(C(F)(F)F)c1cccc3c1N2CCC3
InChIInChI=1S/C17H16F3N3O3/c1-21-13-11(14(24)22(2)15(21)25)16(26,17(18,19)20)10-7-3-5-9-6-4-8-23(13)12(9)10/h3,5,7,26H,4,6,8H2,1-2H3
InChIKeyFGTVDHWDQOEXTJ-UHFFFAOYSA-N
XLogP1.28
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione?
The IUPAC name of 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione (CID 71817777) is 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione.
What is the SMILES notation for 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione?
The canonical SMILES for 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione is Cn1c2c(c(=O)n(C)c1=O)C(O)(C(F)(F)F)c1cccc3c1N2CCC3.
What is the InChIKey of 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione?
The InChIKey is FGTVDHWDQOEXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-21-13-11(14(24)22(2)15(21)25)16(26,17(18,19)20)10-7-3-5-9-6-4-8-23(13)12(9)10/h3,5,7,26H,4,6,8H2,1-2H3.
What are the key properties of 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione?
8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione has a molecular weight of 367.33 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,5-dimethyl-8-(trifluoromethyl)-1,3,5-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9,11,13(17)-tetraene-4,6-dione is sourced from PubChem (CID 71817777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).