2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C11H12N4O2 — CID 891427

IUPAC2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H12N4O2/c1-2-17-9-6-4-3-5-8(9)10(16)14-11-12-7-13-15-11/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyAWFQFPPCXGLIDN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.46
Rot. Bonds4

About 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 891427) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID891427
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H12N4O2/c1-2-17-9-6-4-3-5-8(9)10(16)14-11-12-7-13-15-11/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyAWFQFPPCXGLIDN-UHFFFAOYSA-N
XLogP1.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 891427) is 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is CCOc1ccccc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is AWFQFPPCXGLIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-9-6-4-3-5-8(9)10(16)14-11-12-7-13-15-11/h3-7H,2H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 891427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).