1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

C13H18N4O2 — CID 103348045

IUPAC1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCOc1cccc(C(O)Cc2ncnn2C(C)C)n1
InChIInChI=1S/C13H18N4O2/c1-9(2)17-12(14-8-15-17)7-11(18)10-5-4-6-13(16-10)19-3/h4-6,8-9,11,18H,7H2,1-3H3
InChIKeyPSLJRMFHKLOKEZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.54
Rot. Bonds5

About 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 103348045) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID103348045
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCOc1cccc(C(O)Cc2ncnn2C(C)C)n1
InChIInChI=1S/C13H18N4O2/c1-9(2)17-12(14-8-15-17)7-11(18)10-5-4-6-13(16-10)19-3/h4-6,8-9,11,18H,7H2,1-3H3
InChIKeyPSLJRMFHKLOKEZ-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-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol with MolForge

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Related Compounds

1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 105107858
1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 79723844
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
2-(2-fluorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347996
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol
CID 105107866
2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348150
1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(2,6-difluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 115813882
2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347951
1-(6-methoxypyrimidin-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 102950360
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 103348045) is 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is COc1cccc(C(O)Cc2ncnn2C(C)C)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is PSLJRMFHKLOKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)17-12(14-8-15-17)7-11(18)10-5-4-6-13(16-10)19-3/h4-6,8-9,11,18H,7H2,1-3H3.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
1-(6-methoxy-2-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-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 103348045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).