2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

C17H21N5O2 — CID 46262810

IUPAC2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCc1cccc(-c2nc3nc(C)cc(N(CCO)CCO)n3n2)c1
InChIInChI=1S/C17H21N5O2/c1-12-4-3-5-14(10-12)16-19-17-18-13(2)11-15(22(17)20-16)21(6-8-23)7-9-24/h3-5,10-11,23-24H,6-9H2,1-2H3
InChIKeyHONASKOABUFICH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.20
Rot. Bonds6

About 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (PubChem CID 46262810) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
PubChem CID46262810
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCc1cccc(-c2nc3nc(C)cc(N(CCO)CCO)n3n2)c1
InChIInChI=1S/C17H21N5O2/c1-12-4-3-5-14(10-12)16-19-17-18-13(2)11-15(22(17)20-16)21(6-8-23)7-9-24/h3-5,10-11,23-24H,6-9H2,1-2H3
InChIKeyHONASKOABUFICH-UHFFFAOYSA-N
XLogP1.20
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (CID 46262810) is 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is Cc1cccc(-c2nc3nc(C)cc(N(CCO)CCO)n3n2)c1.
What is the InChIKey of 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The InChIKey is HONASKOABUFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-4-3-5-14(10-12)16-19-17-18-13(2)11-15(22(17)20-16)21(6-8-23)7-9-24/h3-5,10-11,23-24H,6-9H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol has a molecular weight of 327.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 46262810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).