3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine

C22H18FN5O — CID 112965499

IUPAC3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1nncc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C22H18FN5O/c23-19-8-4-5-9-20(19)26-22-27-21(14-24-28-22)25-17-10-12-18(13-11-17)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyGASWTDOHGBYWBJ-UHFFFAOYSA-N
MW387.42 g/mol
LogP5.08
Rot. Bonds7

About 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine

3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965499) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965499
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESFc1ccccc1Nc1nncc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C22H18FN5O/c23-19-8-4-5-9-20(19)26-22-27-21(14-24-28-22)25-17-10-12-18(13-11-17)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H2,25,26,27,28)
InChIKeyGASWTDOHGBYWBJ-UHFFFAOYSA-N
XLogP5.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.42
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
3-N-tert-butyl-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959095
3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962174
5-N-(3,4-difluorophenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969056
5-N-(2-fluorophenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958765
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
3-N-(4-ethoxyphenyl)-5-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965552
4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903465
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965507
5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112949336
5-N-(4-fluorophenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965548

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112965499) is 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine is Fc1ccccc1Nc1nncc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is GASWTDOHGBYWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-19-8-4-5-9-20(19)26-22-27-21(14-24-28-22)25-17-10-12-18(13-11-17)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H2,25,26,27,28).
What are the key properties of 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 387.42 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).