2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol

C18H25N7O — CID 139318292

IUPAC2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol
SMILESCCN(CC)c1nc(N(CCO)CCc2ccccc2)n2ncnc2n1
InChIInChI=1S/C18H25N7O/c1-3-23(4-2)17-21-16-19-14-20-25(16)18(22-17)24(12-13-26)11-10-15-8-6-5-7-9-15/h5-9,14,26H,3-4,10-13H2,1-2H3
InChIKeyDTQAOKOABQIXLT-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.41
Rot. Bonds9

About 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol

2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol (PubChem CID 139318292) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol
PubChem CID139318292
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol
SMILESCCN(CC)c1nc(N(CCO)CCc2ccccc2)n2ncnc2n1
InChIInChI=1S/C18H25N7O/c1-3-23(4-2)17-21-16-19-14-20-25(16)18(22-17)24(12-13-26)11-10-15-8-6-5-7-9-15/h5-9,14,26H,3-4,10-13H2,1-2H3
InChIKeyDTQAOKOABQIXLT-UHFFFAOYSA-N
XLogP1.41
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol?
The IUPAC name of 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol (CID 139318292) is 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol is CCN(CC)c1nc(N(CCO)CCc2ccccc2)n2ncnc2n1.
What is the InChIKey of 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol?
The InChIKey is DTQAOKOABQIXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-3-23(4-2)17-21-16-19-14-20-25(16)18(22-17)24(12-13-26)11-10-15-8-6-5-7-9-15/h5-9,14,26H,3-4,10-13H2,1-2H3.
What are the key properties of 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol?
2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol has a molecular weight of 355.45 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol is sourced from PubChem (CID 139318292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).