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

C18H15F3N4O — CID 31043250

IUPACN-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C18H15F3N4O/c1-26-15-7-5-12(6-8-15)10-22-17-24-16(11-23-25-17)13-3-2-4-14(9-13)18(19,20)21/h2-9,11H,10H2,1H3,(H,22,24,25)
InChIKeyFHAALBVADUXQNI-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.18
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 31043250) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID31043250
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C18H15F3N4O/c1-26-15-7-5-12(6-8-15)10-22-17-24-16(11-23-25-17)13-3-2-4-14(9-13)18(19,20)21/h2-9,11H,10H2,1H3,(H,22,24,25)
InChIKeyFHAALBVADUXQNI-UHFFFAOYSA-N
XLogP4.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine 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-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 31043250) is N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is COc1ccc(CNc2nncc(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is FHAALBVADUXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-26-15-7-5-12(6-8-15)10-22-17-24-16(11-23-25-17)13-3-2-4-14(9-13)18(19,20)21/h2-9,11H,10H2,1H3,(H,22,24,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 360.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 31043250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).