2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol

C24H20N6O — CID 137315533

IUPAC2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol
SMILESCNc1ccc(Nc2nc3c(-c4ccccc4-c4ccccc4)nccn3n2)cc1O
InChIInChI=1S/C24H20N6O/c1-25-20-12-11-17(15-21(20)31)27-24-28-23-22(26-13-14-30(23)29-24)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-15,25,31H,1H3,(H,27,29)
InChIKeyXAZLWFPZHVPUAZ-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.95
Rot. Bonds5

About 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol

2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol (PubChem CID 137315533) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol
PubChem CID137315533
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol
SMILESCNc1ccc(Nc2nc3c(-c4ccccc4-c4ccccc4)nccn3n2)cc1O
InChIInChI=1S/C24H20N6O/c1-25-20-12-11-17(15-21(20)31)27-24-28-23-22(26-13-14-30(23)29-24)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-15,25,31H,1H3,(H,27,29)
InChIKeyXAZLWFPZHVPUAZ-UHFFFAOYSA-N
XLogP4.95
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol?
The IUPAC name of 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol (CID 137315533) is 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol.
What is the SMILES notation for 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol?
The canonical SMILES for 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol is CNc1ccc(Nc2nc3c(-c4ccccc4-c4ccccc4)nccn3n2)cc1O.
What is the InChIKey of 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol?
The InChIKey is XAZLWFPZHVPUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-25-20-12-11-17(15-21(20)31)27-24-28-23-22(26-13-14-30(23)29-24)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-15,25,31H,1H3,(H,27,29).
What are the key properties of 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol?
2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol has a molecular weight of 408.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol is sourced from PubChem (CID 137315533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).