2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol

C17H16N4O — CID 6409502

IUPAC2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C17H16N4O/c22-12-11-18-17-15(13-7-3-1-4-8-13)20-21-16(19-17)14-9-5-2-6-10-14/h1-10,22H,11-12H2,(H,18,19,21)
InChIKeyAYYZOOXZBZEHRQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.61
Rot. Bonds5

About 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol

2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol (PubChem CID 6409502) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol
PubChem CID6409502
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C17H16N4O/c22-12-11-18-17-15(13-7-3-1-4-8-13)20-21-16(19-17)14-9-5-2-6-10-14/h1-10,22H,11-12H2,(H,18,19,21)
InChIKeyAYYZOOXZBZEHRQ-UHFFFAOYSA-N
XLogP2.61
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol?
The IUPAC name of 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol (CID 6409502) is 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol?
The canonical SMILES for 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol is OCCNc1nc(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol?
The InChIKey is AYYZOOXZBZEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-12-11-18-17-15(13-7-3-1-4-8-13)20-21-16(19-17)14-9-5-2-6-10-14/h1-10,22H,11-12H2,(H,18,19,21).
What are the key properties of 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol?
2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol has a molecular weight of 292.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-diphenyl-1,2,4-triazin-5-yl)amino]ethanol is sourced from PubChem (CID 6409502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).