5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

C15H16F3N5O3 — CID 149088063

IUPAC5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1c2nc3cc(C(F)(F)F)[nH]n3c(=O)c2CN1CCN1CCOCC1
InChIInChI=1S/C15H16F3N5O3/c16-15(17,18)10-7-11-19-12-9(13(24)23(11)20-10)8-22(14(12)25)2-1-21-3-5-26-6-4-21/h7,20H,1-6,8H2
InChIKeyKILVIRUSVAQZFH-UHFFFAOYSA-N
MW371.32 g/mol
LogP0.33
Rot. Bonds3

About 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione

5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (PubChem CID 149088063) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
PubChem CID149088063
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC Name5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
SMILESO=C1c2nc3cc(C(F)(F)F)[nH]n3c(=O)c2CN1CCN1CCOCC1
InChIInChI=1S/C15H16F3N5O3/c16-15(17,18)10-7-11-19-12-9(13(24)23(11)20-10)8-22(14(12)25)2-1-21-3-5-26-6-4-21/h7,20H,1-6,8H2
InChIKeyKILVIRUSVAQZFH-UHFFFAOYSA-N
XLogP0.33
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The IUPAC name of 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione (CID 149088063) is 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione.
What is the SMILES notation for 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The canonical SMILES for 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is O=C1c2nc3cc(C(F)(F)F)[nH]n3c(=O)c2CN1CCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
The InChIKey is KILVIRUSVAQZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c16-15(17,18)10-7-11-19-12-9(13(24)23(11)20-10)8-22(14(12)25)2-1-21-3-5-26-6-4-21/h7,20H,1-6,8H2.
What are the key properties of 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione?
5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione has a molecular weight of 371.32 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethyl)-11-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione is sourced from PubChem (CID 149088063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).