6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine

C16H16F6N4O2 — CID 162726617

IUPAC6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine
SMILESNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)C(C(F)(F)F)CCCCCCO2
InChIInChI=1S/C16H16F6N4O2/c17-15(18,19)8-5-3-1-2-4-6-27-12-9(16(20,21)22)7-10(23)11(24-12)14-26-25-13(8)28-14/h7-8H,1-6,23H2
InChIKeyZCYBSTFPCPARPA-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.72
Rot. Bonds

About 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine

6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine (PubChem CID 162726617) has the molecular formula C16H16F6N4O2 and a molecular weight of 410.32 g/mol. Its IUPAC name is 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine.

Molecular Properties

Compound Name6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine
PubChem CID162726617
Molecular FormulaC16H16F6N4O2
Molecular Weight410.32 g/mol
Exact Mass410.12
IUPAC Name6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine
SMILESNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)C(C(F)(F)F)CCCCCCO2
InChIInChI=1S/C16H16F6N4O2/c17-15(18,19)8-5-3-1-2-4-6-27-12-9(16(20,21)22)7-10(23)11(24-12)14-26-25-13(8)28-14/h7-8H,1-6,23H2
InChIKeyZCYBSTFPCPARPA-UHFFFAOYSA-N
XLogP4.72
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine?
The IUPAC name of 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine (CID 162726617) is 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine.
What is the SMILES notation for 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine?
The canonical SMILES for 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine is Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)C(C(F)(F)F)CCCCCCO2.
What is the InChIKey of 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine?
The InChIKey is ZCYBSTFPCPARPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N4O2/c17-15(18,19)8-5-3-1-2-4-6-27-12-9(16(20,21)22)7-10(23)11(24-12)14-26-25-13(8)28-14/h7-8H,1-6,23H2.
What are the key properties of 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine?
6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine has a molecular weight of 410.32 g/mol, XLogP of 4.72, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-amine is sourced from PubChem (CID 162726617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).