N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine

C19H19FN4 — CID 25281675

IUPACN-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine
SMILESCCc1ccc(CN(C)c2nncc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H19FN4/c1-3-14-7-9-15(10-8-14)13-24(2)19-22-18(12-21-23-19)16-5-4-6-17(20)11-16/h4-12H,3,13H2,1-2H3
InChIKeyXSOFGMIHFOIDJA-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.88
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine

N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine (PubChem CID 25281675) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine
PubChem CID25281675
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC NameN-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine
SMILESCCc1ccc(CN(C)c2nncc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H19FN4/c1-3-14-7-9-15(10-8-14)13-24(2)19-22-18(12-21-23-19)16-5-4-6-17(20)11-16/h4-12H,3,13H2,1-2H3
InChIKeyXSOFGMIHFOIDJA-UHFFFAOYSA-N
XLogP3.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-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-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine (CID 25281675) is N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine is CCc1ccc(CN(C)c2nncc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine?
The InChIKey is XSOFGMIHFOIDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-3-14-7-9-15(10-8-14)13-24(2)19-22-18(12-21-23-19)16-5-4-6-17(20)11-16/h4-12H,3,13H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine?
N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine has a molecular weight of 322.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-5-(3-fluorophenyl)-N-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 25281675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).