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

C11H11N5O2 — CID 669488

IUPAC4-acetamido-N-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyAGTLIJXMGDFIBI-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.62
Rot. Bonds3

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

4-acetamido-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 669488) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID669488
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-acetamido-N-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyAGTLIJXMGDFIBI-UHFFFAOYSA-N
XLogP0.62
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide (CID 669488) is 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is AGTLIJXMGDFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-8(17)14-10-4-2-9(3-5-10)11(18)15-16-6-12-13-7-16/h2-7H,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide?
4-acetamido-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 669488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).