[1-(4-ethoxyphenyl)triazol-4-yl]methanol

C11H13N3O2 — CID 56828287

IUPAC[1-(4-ethoxyphenyl)triazol-4-yl]methanol
SMILESCCOc1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C11H13N3O2/c1-2-16-11-5-3-10(4-6-11)14-7-9(8-15)12-13-14/h3-7,15H,2,8H2,1H3
InChIKeyPHWYKZDANVBVKB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.16
Rot. Bonds4

About [1-(4-ethoxyphenyl)triazol-4-yl]methanol

[1-(4-ethoxyphenyl)triazol-4-yl]methanol (PubChem CID 56828287) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)triazol-4-yl]methanol
PubChem CID56828287
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[1-(4-ethoxyphenyl)triazol-4-yl]methanol
SMILESCCOc1ccc(-n2cc(CO)nn2)cc1
InChIInChI=1S/C11H13N3O2/c1-2-16-11-5-3-10(4-6-11)14-7-9(8-15)12-13-14/h3-7,15H,2,8H2,1H3
InChIKeyPHWYKZDANVBVKB-UHFFFAOYSA-N
XLogP1.16
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-ethoxyphenyl)triazol-4-yl]methanol (CID 56828287) is [1-(4-ethoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-ethoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-ethoxyphenyl)triazol-4-yl]methanol is CCOc1ccc(-n2cc(CO)nn2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)triazol-4-yl]methanol?
The InChIKey is PHWYKZDANVBVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-11-5-3-10(4-6-11)14-7-9(8-15)12-13-14/h3-7,15H,2,8H2,1H3.
What are the key properties of [1-(4-ethoxyphenyl)triazol-4-yl]methanol?
[1-(4-ethoxyphenyl)triazol-4-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 56828287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).