4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline

C21H22FN5O — CID 21453870

IUPAC4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(N3CCOCC3)nnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN5O/c1-26(2)18-9-5-15(6-10-18)19-20(16-3-7-17(22)8-4-16)24-25-21(23-19)27-11-13-28-14-12-27/h3-10H,11-14H2,1-2H3
InChIKeySDYLDSFIZLGRRT-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.25
Rot. Bonds4

About 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline

4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline (PubChem CID 21453870) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline
PubChem CID21453870
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(N3CCOCC3)nnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN5O/c1-26(2)18-9-5-15(6-10-18)19-20(16-3-7-17(22)8-4-16)24-25-21(23-19)27-11-13-28-14-12-27/h3-10H,11-14H2,1-2H3
InChIKeySDYLDSFIZLGRRT-UHFFFAOYSA-N
XLogP3.25
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline (CID 21453870) is 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(N3CCOCC3)nnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
The InChIKey is SDYLDSFIZLGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-26(2)18-9-5-15(6-10-18)19-20(16-3-7-17(22)8-4-16)24-25-21(23-19)27-11-13-28-14-12-27/h3-10H,11-14H2,1-2H3.
What are the key properties of 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline has a molecular weight of 379.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 21453870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).