15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione

C15H6F3N3O2 — CID 505839

IUPAC15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione
SMILESO=C1c2c(cccc2C(F)(F)F)-n2c1nc1ncccc1c2=O
InChIInChI=1S/C15H6F3N3O2/c16-15(17,18)8-4-1-5-9-10(8)11(22)13-20-12-7(3-2-6-19-12)14(23)21(9)13/h1-6H
InChIKeyMMMQRPLQEAIMGY-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.34
Rot. Bonds

About 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione

15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione (PubChem CID 505839) has the molecular formula C15H6F3N3O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione.

Molecular Properties

Compound Name15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione
PubChem CID505839
Molecular FormulaC15H6F3N3O2
Molecular Weight317.23 g/mol
Exact Mass317.04
IUPAC Name15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione
SMILESO=C1c2c(cccc2C(F)(F)F)-n2c1nc1ncccc1c2=O
InChIInChI=1S/C15H6F3N3O2/c16-15(17,18)8-4-1-5-9-10(8)11(22)13-20-12-7(3-2-6-19-12)14(23)21(9)13/h1-6H
InChIKeyMMMQRPLQEAIMGY-UHFFFAOYSA-N
XLogP2.34
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione?
The IUPAC name of 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione (CID 505839) is 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione.
What is the SMILES notation for 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione?
The canonical SMILES for 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione is O=C1c2c(cccc2C(F)(F)F)-n2c1nc1ncccc1c2=O.
What is the InChIKey of 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione?
The InChIKey is MMMQRPLQEAIMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F3N3O2/c16-15(17,18)8-4-1-5-9-10(8)11(22)13-20-12-7(3-2-6-19-12)14(23)21(9)13/h1-6H.
What are the key properties of 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione?
15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione has a molecular weight of 317.23 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(trifluoromethyl)-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione is sourced from PubChem (CID 505839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).