1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol

C11H13N3O — CID 117167817

IUPAC1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol
SMILESCc1cccc(-c2n[nH]nc2C(C)O)c1
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9(6-7)11-10(8(2)15)12-14-13-11/h3-6,8,15H,1-2H3,(H,12,13,14)
InChIKeyYUAANNNUXJDDMJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.83
Rot. Bonds2

About 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol

1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol (PubChem CID 117167817) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol
PubChem CID117167817
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol
SMILESCc1cccc(-c2n[nH]nc2C(C)O)c1
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9(6-7)11-10(8(2)15)12-14-13-11/h3-6,8,15H,1-2H3,(H,12,13,14)
InChIKeyYUAANNNUXJDDMJ-UHFFFAOYSA-N
XLogP1.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol?
The IUPAC name of 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol (CID 117167817) is 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol.
What is the SMILES notation for 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol?
The canonical SMILES for 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol is Cc1cccc(-c2n[nH]nc2C(C)O)c1.
What is the InChIKey of 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol?
The InChIKey is YUAANNNUXJDDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-4-3-5-9(6-7)11-10(8(2)15)12-14-13-11/h3-6,8,15H,1-2H3,(H,12,13,14).
What are the key properties of 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol?
1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol has a molecular weight of 203.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol is sourced from PubChem (CID 117167817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).