N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C24H28N6O — CID 163591521

About N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 163591521) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 163591521
• Molecular Formula: C24H28N6O
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.23
• IUPAC Name: N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: COc1ccc(-c2cccc3nc(Nc4ccc(CNCCN(C)C)cc4)nn23)cc1
• InChI: InChI=1S/C24H28N6O/c1-29(2)16-15-25-17-18-7-11-20(12-8-18)26-24-27-23-6-4-5-22(30(23)28-24)19-9-13-21(31-3)14-10-19/h4-14,25H,15-17H2,1-3H3,(H,26,28)
• InChIKey: GPXGVJBWJFKNCH-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 66.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 163591521) is N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine is COc1ccc(-c2cccc3nc(Nc4ccc(CNCCN(C)C)cc4)nn23)cc1.

What is the InChIKey of N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is GPXGVJBWJFKNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-29(2)16-15-25-17-18-7-11-20(12-8-18)26-24-27-23-6-4-5-22(30(23)28-24)19-9-13-21(31-3)14-10-19/h4-14,25H,15-17H2,1-3H3,(H,26,28).

What are the key properties of N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?

N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 416.53 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 163591521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).