1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

C11H14N4O — CID 106756246

IUPAC1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ncnn2C)ccn1
InChIInChI=1S/C11H14N4O/c1-8-5-9(3-4-12-8)10(16)6-11-13-7-14-15(11)2/h3-5,7,10,16H,6H2,1-2H3
InChIKeyNIJDRVBTBICBOP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds3

About 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 106756246) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID106756246
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ncnn2C)ccn1
InChIInChI=1S/C11H14N4O/c1-8-5-9(3-4-12-8)10(16)6-11-13-7-14-15(11)2/h3-5,7,10,16H,6H2,1-2H3
InChIKeyNIJDRVBTBICBOP-UHFFFAOYSA-N
XLogP0.79
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242
1-(4-fluoro-3-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812576
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 106756289
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756272
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 107947585
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756611
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107145
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 106756246) is 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is Cc1cc(C(O)Cc2ncnn2C)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is NIJDRVBTBICBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-9(3-4-12-8)10(16)6-11-13-7-14-15(11)2/h3-5,7,10,16H,6H2,1-2H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 106756246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).