2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol

C19H18N6O — CID 71866571

IUPAC2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C19H18N6O/c26-10-9-24(13-15-5-4-8-20-12-15)18-11-17(16-6-2-1-3-7-16)23-19-21-14-22-25(18)19/h1-8,11-12,14,26H,9-10,13H2
InChIKeyOZLFIGOTRXCKTR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.19
Rot. Bonds6

About 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol

2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol (PubChem CID 71866571) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol
PubChem CID71866571
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C19H18N6O/c26-10-9-24(13-15-5-4-8-20-12-15)18-11-17(16-6-2-1-3-7-16)23-19-21-14-22-25(18)19/h1-8,11-12,14,26H,9-10,13H2
InChIKeyOZLFIGOTRXCKTR-UHFFFAOYSA-N
XLogP2.19
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol with MolForge

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Related Compounds

N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78799849
N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356751
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276376
N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide
CID 60505945
N-benzyl-N-(2,2-dimethylpropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287633
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167821765
2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol
CID 78845346
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135727318
2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol
CID 139318292
N,N-bis(2-ethoxyethyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46094617
3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 133445874
4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile
CID 133384013

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol (CID 71866571) is 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol is OCCN(Cc1cccnc1)c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is OZLFIGOTRXCKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-10-9-24(13-15-5-4-8-20-12-15)18-11-17(16-6-2-1-3-7-16)23-19-21-14-22-25(18)19/h1-8,11-12,14,26H,9-10,13H2.
What are the key properties of 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol?
2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 346.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 71866571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).