4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide

C11H12N4O2 — CID 669400

IUPAC4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C11H12N4O2/c1-2-17-10-5-3-9(4-6-10)11(16)14-15-7-12-13-8-15/h3-8H,2H2,1H3,(H,14,16)
InChIKeyUEKNOUDIMUKKPT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.06
Rot. Bonds4

About 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide

4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 669400) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID669400
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C11H12N4O2/c1-2-17-10-5-3-9(4-6-10)11(16)14-15-7-12-13-8-15/h3-8H,2H2,1H3,(H,14,16)
InChIKeyUEKNOUDIMUKKPT-UHFFFAOYSA-N
XLogP1.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 669400) is 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide is CCOc1ccc(C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is UEKNOUDIMUKKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-10-5-3-9(4-6-10)11(16)14-15-7-12-13-8-15/h3-8H,2H2,1H3,(H,14,16).
What are the key properties of 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide?
4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 669400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).