13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene

C16H12F3N3 — CID 102457482

IUPAC13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene
SMILESCc1cc(C(F)(F)F)c2nc3n(c2n1)CCc1ccccc1-3
InChIInChI=1S/C16H12F3N3/c1-9-8-12(16(17,18)19)13-15(20-9)22-7-6-10-4-2-3-5-11(10)14(22)21-13/h2-5,8H,6-7H2,1H3
InChIKeyOINNPYLXCFNWIK-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.98
Rot. Bonds

About 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene

13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene (PubChem CID 102457482) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene.

Molecular Properties

Compound Name13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene
PubChem CID102457482
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene
SMILESCc1cc(C(F)(F)F)c2nc3n(c2n1)CCc1ccccc1-3
InChIInChI=1S/C16H12F3N3/c1-9-8-12(16(17,18)19)13-15(20-9)22-7-6-10-4-2-3-5-11(10)14(22)21-13/h2-5,8H,6-7H2,1H3
InChIKeyOINNPYLXCFNWIK-UHFFFAOYSA-N
XLogP3.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The IUPAC name of 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene (CID 102457482) is 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene.
What is the SMILES notation for 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The canonical SMILES for 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene is Cc1cc(C(F)(F)F)c2nc3n(c2n1)CCc1ccccc1-3.
What is the InChIKey of 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The InChIKey is OINNPYLXCFNWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-9-8-12(16(17,18)19)13-15(20-9)22-7-6-10-4-2-3-5-11(10)14(22)21-13/h2-5,8H,6-7H2,1H3.
What are the key properties of 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene?
13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene has a molecular weight of 303.29 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-15-(trifluoromethyl)-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 102457482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).