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

C11H12N4O — CID 2225294

IUPAC4-ethyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C11H12N4O/c1-2-9-3-5-10(6-4-9)11(16)14-15-7-12-13-8-15/h3-8H,2H2,1H3,(H,14,16)
InChIKeyAJQWOEVZJREZGI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.22
Rot. Bonds3

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

4-ethyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2225294) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2225294
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-ethyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C11H12N4O/c1-2-9-3-5-10(6-4-9)11(16)14-15-7-12-13-8-15/h3-8H,2H2,1H3,(H,14,16)
InChIKeyAJQWOEVZJREZGI-UHFFFAOYSA-N
XLogP1.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide (CID 2225294) is 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide is CCc1ccc(C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is AJQWOEVZJREZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-9-3-5-10(6-4-9)11(16)14-15-7-12-13-8-15/h3-8H,2H2,1H3,(H,14,16).
What are the key properties of 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide?
4-ethyl-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 216.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2225294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).