3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine

C22H19N5O2 — CID 112967421

IUPAC3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2nncc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C22H19N5O2/c1-28-18-11-7-17(8-12-18)25-22-26-21(15-23-27-22)24-16-9-13-20(14-10-16)29-19-5-3-2-4-6-19/h2-15H,1H3,(H2,24,25,26,27)
InChIKeyZPIYECALMNJDOA-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.16
Rot. Bonds7

About 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine

3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112967421) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112967421
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2nncc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C22H19N5O2/c1-28-18-11-7-17(8-12-18)25-22-26-21(15-23-27-22)24-16-9-13-20(14-10-16)29-19-5-3-2-4-6-19/h2-15H,1H3,(H2,24,25,26,27)
InChIKeyZPIYECALMNJDOA-UHFFFAOYSA-N
XLogP5.16
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(3,4-difluorophenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969056
3-N-(2-methylpropyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940614
3-N-(3-methoxypropyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112943993
3-N-phenyl-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961676
5-N-(2,6-dichlorophenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967444
5-N-butan-2-yl-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940808
5-N-(2,3-dimethylphenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963838
N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112967341
5-N-[(2-methylphenyl)methyl]-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112947995
5-N-(4-methoxyphenyl)-3-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958597
3-N-(3-methoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967266
methyl 2-[[3-(4-methoxyanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112967408

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112967421) is 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine is COc1ccc(Nc2nncc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is ZPIYECALMNJDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-28-18-11-7-17(8-12-18)25-22-26-21(15-23-27-22)24-16-9-13-20(14-10-16)29-19-5-3-2-4-6-19/h2-15H,1H3,(H2,24,25,26,27).
What are the key properties of 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 385.43 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112967421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).