(14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

C19H16F3N3O — CID 95135914

IUPAC(14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCc1ccc2nc3c(n2c1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)NC3
InChIInChI=1S/C19H16F3N3O/c1-11-2-7-16-24-15-9-23-17(26)8-14(18(15)25(16)10-11)12-3-5-13(6-4-12)19(20,21)22/h2-7,10,14H,8-9H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyLYPNYKUWOITNDG-CQSZACIVSA-N
MW359.35 g/mol
LogP3.81
Rot. Bonds1

About (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

(14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (PubChem CID 95135914) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.

Molecular Properties

Compound Name(14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
PubChem CID95135914
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name(14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCc1ccc2nc3c(n2c1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)NC3
InChIInChI=1S/C19H16F3N3O/c1-11-2-7-16-24-15-9-23-17(26)8-14(18(15)25(16)10-11)12-3-5-13(6-4-12)19(20,21)22/h2-7,10,14H,8-9H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyLYPNYKUWOITNDG-CQSZACIVSA-N
XLogP3.81
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The IUPAC name of (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (CID 95135914) is (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.
What is the SMILES notation for (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The canonical SMILES for (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is Cc1ccc2nc3c(n2c1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)NC3.
What is the InChIKey of (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The InChIKey is LYPNYKUWOITNDG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-11-2-7-16-24-15-9-23-17(26)8-14(18(15)25(16)10-11)12-3-5-13(6-4-12)19(20,21)22/h2-7,10,14H,8-9H2,1H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
(14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one has a molecular weight of 359.35 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-4-methyl-14-[4-(trifluoromethyl)phenyl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is sourced from PubChem (CID 95135914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).