5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine

C19H17F3N4O3 — CID 28955643

IUPAC5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3ccccc3OC(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C19H17F3N4O3/c1-27-13-7-8-14(17(9-13)28-2)15-11-24-26-18(25-15)23-10-12-5-3-4-6-16(12)29-19(20,21)22/h3-9,11H,10H2,1-2H3,(H,23,25,26)
InChIKeyWLMYTMWAOFFWAY-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.07
Rot. Bonds7

About 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine

5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine (PubChem CID 28955643) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
PubChem CID28955643
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3ccccc3OC(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C19H17F3N4O3/c1-27-13-7-8-14(17(9-13)28-2)15-11-24-26-18(25-15)23-10-12-5-3-4-6-16(12)29-19(20,21)22/h3-9,11H,10H2,1-2H3,(H,23,25,26)
InChIKeyWLMYTMWAOFFWAY-UHFFFAOYSA-N
XLogP4.07
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
CID 29150259
5-N-(2,4-dimethoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950973
5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 42415404
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950891
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950913
5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
CID 25369060
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950746
3-N-(2,4-dimethoxyphenyl)-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112947973
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
5-N-[(2-methoxyphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940487

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine (CID 28955643) is 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCc3ccccc3OC(F)(F)F)n2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine?
The InChIKey is WLMYTMWAOFFWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-27-13-7-8-14(17(9-13)28-2)15-11-24-26-18(25-15)23-10-12-5-3-4-6-16(12)29-19(20,21)22/h3-9,11H,10H2,1-2H3,(H,23,25,26).
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine?
5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 406.36 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 28955643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).