5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H15N5 — CID 59276560

IUPAC5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C18H15N5/c19-14-11-9-13(10-12-14)16-7-4-8-17-21-18(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,19H2,(H,20,22)
InChIKeyICOABOIYTFDQKN-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.72
Rot. Bonds3

About 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59276560) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59276560
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C18H15N5/c19-14-11-9-13(10-12-14)16-7-4-8-17-21-18(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,19H2,(H,20,22)
InChIKeyICOABOIYTFDQKN-UHFFFAOYSA-N
XLogP3.72
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
Dsm-74
CID 25263414
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59276560) is 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.
What is the InChIKey of 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ICOABOIYTFDQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-14-11-9-13(10-12-14)16-7-4-8-17-21-18(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,19H2,(H,20,22).
What are the key properties of 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59276560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).