N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine

C26H21F3N6O — CID 143043980

IUPACN-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine
SMILESC=C(NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1
InChIInChI=1S/C26H21F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,30H,1,14-16H2
InChIKeyYZVFVIVPORTIGP-UHFFFAOYSA-N
MW490.49 g/mol
LogP5.07
Rot. Bonds8

About N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine

N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine (PubChem CID 143043980) has the molecular formula C26H21F3N6O and a molecular weight of 490.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine
PubChem CID143043980
Molecular FormulaC26H21F3N6O
Molecular Weight490.49 g/mol
Exact Mass490.17
IUPAC NameN-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine
SMILESC=C(NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1
InChIInChI=1S/C26H21F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,30H,1,14-16H2
InChIKeyYZVFVIVPORTIGP-UHFFFAOYSA-N
XLogP5.07
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine?
The IUPAC name of N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine (CID 143043980) is N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine.
What is the SMILES notation for N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine?
The canonical SMILES for N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine is C=C(NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1.
What is the InChIKey of N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine?
The InChIKey is YZVFVIVPORTIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,30H,1,14-16H2.
What are the key properties of N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine?
N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine has a molecular weight of 490.49 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]ethenamine is sourced from PubChem (CID 143043980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).