2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol

C9H10N6O — CID 164890314

IUPAC2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol
SMILESCc1nc2cnnn2c2c1ncn2CCO
InChIInChI=1S/C9H10N6O/c1-6-8-9(14(2-3-16)5-10-8)15-7(12-6)4-11-13-15/h4-5,16H,2-3H2,1H3
InChIKeyAMPOOBVQLZDUDF-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.23
Rot. Bonds2

About 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol

2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol (PubChem CID 164890314) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol
PubChem CID164890314
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol
SMILESCc1nc2cnnn2c2c1ncn2CCO
InChIInChI=1S/C9H10N6O/c1-6-8-9(14(2-3-16)5-10-8)15-7(12-6)4-11-13-15/h4-5,16H,2-3H2,1H3
InChIKeyAMPOOBVQLZDUDF-UHFFFAOYSA-N
XLogP-0.23
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-hydroxyethyl)-8-(2-methoxyethyl)-6-methylpyrido[3,4-d]pyrimidin-4-one
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(3-methyltriazol-4-yl)methanol
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5-(2-hydroxyethyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
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5-methyl-7-methylsulfanyltriazolo[1,5-a]pyrimidine
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2-(4-tert-butylbenzimidazol-1-yl)ethanol
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2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane
CID 90714959
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
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2-(4-methyl-5-phenyltriazol-1-yl)ethanol
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[[9-(2-hydroxyethyl)-2-methylpurine-6-carbonyl]amino]methyl benzoate
CID 150182622

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol?
The IUPAC name of 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol (CID 164890314) is 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol.
What is the SMILES notation for 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol?
The canonical SMILES for 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol is Cc1nc2cnnn2c2c1ncn2CCO.
What is the InChIKey of 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol?
The InChIKey is AMPOOBVQLZDUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-6-8-9(14(2-3-16)5-10-8)15-7(12-6)4-11-13-15/h4-5,16H,2-3H2,1H3.
What are the key properties of 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol?
2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol has a molecular weight of 218.22 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltriazolo[5,1-b]purin-8-yl)ethanol is sourced from PubChem (CID 164890314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).