6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene

C16H19F3N6O — CID 170395146

IUPAC6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
SMILESCC1CCOc2c(C3CC3)nn(C)c2Nc2ncc(C(F)(F)F)c(n2)N1
InChIInChI=1S/C16H19F3N6O/c1-8-5-6-26-12-11(9-3-4-9)24-25(2)14(12)23-15-20-7-10(16(17,18)19)13(21-8)22-15/h7-9H,3-6H2,1-2H3,(H2,20,21,22,23)
InChIKeyLWSXKPCBLCSMCK-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.43
Rot. Bonds1

About 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene

6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene (PubChem CID 170395146) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene.

Molecular Properties

Compound Name6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
PubChem CID170395146
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
SMILESCC1CCOc2c(C3CC3)nn(C)c2Nc2ncc(C(F)(F)F)c(n2)N1
InChIInChI=1S/C16H19F3N6O/c1-8-5-6-26-12-11(9-3-4-9)24-25(2)14(12)23-15-20-7-10(16(17,18)19)13(21-8)22-15/h7-9H,3-6H2,1-2H3,(H2,20,21,22,23)
InChIKeyLWSXKPCBLCSMCK-UHFFFAOYSA-N
XLogP3.43
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
The IUPAC name of 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene (CID 170395146) is 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene.
What is the SMILES notation for 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
The canonical SMILES for 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene is CC1CCOc2c(C3CC3)nn(C)c2Nc2ncc(C(F)(F)F)c(n2)N1.
What is the InChIKey of 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
The InChIKey is LWSXKPCBLCSMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-8-5-6-26-12-11(9-3-4-9)24-25(2)14(12)23-15-20-7-10(16(17,18)19)13(21-8)22-15/h7-9H,3-6H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene?
6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene has a molecular weight of 368.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4,11-dimethyl-14-(trifluoromethyl)-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene is sourced from PubChem (CID 170395146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).