(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol

C14H19N3O2 — CID 63650922

IUPAC(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2nnc(C)n2C)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-6-12(10(2)18)13(7-9)19-8-14-16-15-11(3)17(14)4/h5-7,10,18H,8H2,1-4H3/t10-/m0/s1
InChIKeyFMRQABYQZMMNLG-JTQLQIEISA-N
MW261.32 g/mol
LogP2.06
Rot. Bonds4

About (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol

(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol (PubChem CID 63650922) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
PubChem CID63650922
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2nnc(C)n2C)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-6-12(10(2)18)13(7-9)19-8-14-16-15-11(3)17(14)4/h5-7,10,18H,8H2,1-4H3/t10-/m0/s1
InChIKeyFMRQABYQZMMNLG-JTQLQIEISA-N
XLogP2.06
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 102948495
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932436
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640814
(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 79013751
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol
CID 43524917
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 43525056
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 55145919
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000899
(1R)-1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 104862104
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
CID 78930150

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol (CID 63650922) is (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol is Cc1ccc([C@H](C)O)c(OCc2nnc(C)n2C)c1.
What is the InChIKey of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is FMRQABYQZMMNLG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-6-12(10(2)18)13(7-9)19-8-14-16-15-11(3)17(14)4/h5-7,10,18H,8H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol?
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol has a molecular weight of 261.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 63650922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).