2-ethyl-4-(2H-triazol-4-yl)benzamide

C11H12N4O — CID 67309472

IUPAC2-ethyl-4-(2H-triazol-4-yl)benzamide
SMILESCCc1cc(-c2cn[nH]n2)ccc1C(N)=O
InChIInChI=1S/C11H12N4O/c1-2-7-5-8(10-6-13-15-14-10)3-4-9(7)11(12)16/h3-6H,2H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyVOHSXFVVXDSALD-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.13
Rot. Bonds3

About 2-ethyl-4-(2H-triazol-4-yl)benzamide

2-ethyl-4-(2H-triazol-4-yl)benzamide (PubChem CID 67309472) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-ethyl-4-(2H-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-ethyl-4-(2H-triazol-4-yl)benzamide
PubChem CID67309472
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-ethyl-4-(2H-triazol-4-yl)benzamide
SMILESCCc1cc(-c2cn[nH]n2)ccc1C(N)=O
InChIInChI=1S/C11H12N4O/c1-2-7-5-8(10-6-13-15-14-10)3-4-9(7)11(12)16/h3-6H,2H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyVOHSXFVVXDSALD-UHFFFAOYSA-N
XLogP1.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2H-triazol-4-yl)benzamide?
The IUPAC name of 2-ethyl-4-(2H-triazol-4-yl)benzamide (CID 67309472) is 2-ethyl-4-(2H-triazol-4-yl)benzamide.
What is the SMILES notation for 2-ethyl-4-(2H-triazol-4-yl)benzamide?
The canonical SMILES for 2-ethyl-4-(2H-triazol-4-yl)benzamide is CCc1cc(-c2cn[nH]n2)ccc1C(N)=O.
What is the InChIKey of 2-ethyl-4-(2H-triazol-4-yl)benzamide?
The InChIKey is VOHSXFVVXDSALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-7-5-8(10-6-13-15-14-10)3-4-9(7)11(12)16/h3-6H,2H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-ethyl-4-(2H-triazol-4-yl)benzamide?
2-ethyl-4-(2H-triazol-4-yl)benzamide has a molecular weight of 216.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2H-triazol-4-yl)benzamide is sourced from PubChem (CID 67309472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).