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

C10H11N3O — CID 136641819

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)phenol
SMILESCCn1ncnc1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3O/c1-2-13-10(11-7-12-13)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKeyVTVHXOFYYFXBDZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.67
Rot. Bonds2

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

4-(2-ethyl-1,2,4-triazol-3-yl)phenol (PubChem CID 136641819) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)phenol
PubChem CID136641819
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)phenol
SMILESCCn1ncnc1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3O/c1-2-13-10(11-7-12-13)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKeyVTVHXOFYYFXBDZ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)phenol (CID 136641819) is 4-(2-ethyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)phenol is CCn1ncnc1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is VTVHXOFYYFXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-13-10(11-7-12-13)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)phenol?
4-(2-ethyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 136641819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).