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

C21H19N5O2 — CID 58975976

IUPAC1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCOc1ccc(-n2nc(Nc3ccc(Oc4ccccc4)cc3)nc2N)cc1
InChIInChI=1S/C21H19N5O2/c1-27-17-13-9-16(10-14-17)26-20(22)24-21(25-26)23-15-7-11-19(12-8-15)28-18-5-3-2-4-6-18/h2-14H,1H3,(H3,22,23,24,25)
InChIKeyHREFETOABNWQBP-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.39
Rot. Bonds6

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

1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 58975976) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
PubChem CID58975976
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
SMILESCOc1ccc(-n2nc(Nc3ccc(Oc4ccccc4)cc3)nc2N)cc1
InChIInChI=1S/C21H19N5O2/c1-27-17-13-9-16(10-14-17)26-20(22)24-21(25-26)23-15-7-11-19(12-8-15)28-18-5-3-2-4-6-18/h2-14H,1H3,(H3,22,23,24,25)
InChIKeyHREFETOABNWQBP-UHFFFAOYSA-N
XLogP4.39
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-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

1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976009
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976315
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790
1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976897
5-amino-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817614
3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967421
5-methoxy-2-phenyl-1,2,4-triazol-3-amine
CID 79873453
1-isoquinolin-3-yl-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976903
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 58975976) is 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine is COc1ccc(-n2nc(Nc3ccc(Oc4ccccc4)cc3)nc2N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is HREFETOABNWQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-17-13-9-16(10-14-17)26-20(22)24-21(25-26)23-15-7-11-19(12-8-15)28-18-5-3-2-4-6-18/h2-14H,1H3,(H3,22,23,24,25).
What are the key properties of 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine?
1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 373.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58975976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).