4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

C19H19F3N4 — CID 123222454

IUPAC4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCNC1
InChIInChI=1S/C19H19F3N4/c1-12-2-4-16-18(25-12)14-11-23-8-6-15(14)26(16)9-7-13-3-5-17(24-10-13)19(20,21)22/h2-5,10,23H,6-9,11H2,1H3
InChIKeyLYHGAYYIDVGTKC-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (PubChem CID 123222454) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
PubChem CID123222454
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCNC1
InChIInChI=1S/C19H19F3N4/c1-12-2-4-16-18(25-12)14-11-23-8-6-15(14)26(16)9-7-13-3-5-17(24-10-13)19(20,21)22/h2-5,10,23H,6-9,11H2,1H3
InChIKeyLYHGAYYIDVGTKC-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The IUPAC name of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (CID 123222454) is 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is Cc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CCNC1.
What is the InChIKey of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The InChIKey is LYHGAYYIDVGTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-12-2-4-16-18(25-12)14-11-23-8-6-15(14)26(16)9-7-13-3-5-17(24-10-13)19(20,21)22/h2-5,10,23H,6-9,11H2,1H3.
What are the key properties of 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene has a molecular weight of 360.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 123222454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).