2-(3-ethyl-1,2,4-triazol-1-yl)phenol

C10H11N3O — CID 89207799

IUPAC2-(3-ethyl-1,2,4-triazol-1-yl)phenol
SMILESCCc1ncn(-c2ccccc2O)n1
InChIInChI=1S/C10H11N3O/c1-2-10-11-7-13(12-10)8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3
InChIKeyNPMSKEXTKSHGAS-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.54
Rot. Bonds2

About 2-(3-ethyl-1,2,4-triazol-1-yl)phenol

2-(3-ethyl-1,2,4-triazol-1-yl)phenol (PubChem CID 89207799) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-triazol-1-yl)phenol
PubChem CID89207799
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(3-ethyl-1,2,4-triazol-1-yl)phenol
SMILESCCc1ncn(-c2ccccc2O)n1
InChIInChI=1S/C10H11N3O/c1-2-10-11-7-13(12-10)8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3
InChIKeyNPMSKEXTKSHGAS-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-triazol-1-yl)phenol?
The IUPAC name of 2-(3-ethyl-1,2,4-triazol-1-yl)phenol (CID 89207799) is 2-(3-ethyl-1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 2-(3-ethyl-1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 2-(3-ethyl-1,2,4-triazol-1-yl)phenol is CCc1ncn(-c2ccccc2O)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-triazol-1-yl)phenol?
The InChIKey is NPMSKEXTKSHGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-10-11-7-13(12-10)8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3.
What are the key properties of 2-(3-ethyl-1,2,4-triazol-1-yl)phenol?
2-(3-ethyl-1,2,4-triazol-1-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 89207799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).