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

C13H18N4O2 — CID 105107858

IUPAC1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCOc1ncccc1C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H18N4O2/c1-9(2)17-12(15-8-16-17)7-11(18)10-5-4-6-14-13(10)19-3/h4-6,8-9,11,18H,7H2,1-3H3
InChIKeyVWJIVJFIFLJICI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.54
Rot. Bonds5

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

1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 105107858) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID105107858
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCOc1ncccc1C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H18N4O2/c1-9(2)17-12(15-8-16-17)7-11(18)10-5-4-6-14-13(10)19-3/h4-6,8-9,11,18H,7H2,1-3H3
InChIKeyVWJIVJFIFLJICI-UHFFFAOYSA-N
XLogP1.54
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 103348045
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233
2-(2,6-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105084678
1-(2-bromo-5-fluorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813911
1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 104846308
1-(2,4-difluoro-5-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813820
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
CID 105107794
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(3-bromothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 113298221

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 105107858) is 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is COc1ncccc1C(O)Cc1ncnn1C(C)C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is VWJIVJFIFLJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)17-12(15-8-16-17)7-11(18)10-5-4-6-14-13(10)19-3/h4-6,8-9,11,18H,7H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 105107858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).