2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide

C13H15N5O2 — CID 14978582

IUPAC2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C13H15N5O2/c1-9(19)17-11(12-15-8-16-18-12)13(20)14-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,20)(H,17,19)(H,15,16,18)
InChIKeyAGSLZCUFLYJGLM-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.30
Rot. Bonds5

About 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide

2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 14978582) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID14978582
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C13H15N5O2/c1-9(19)17-11(12-15-8-16-18-12)13(20)14-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,20)(H,17,19)(H,15,16,18)
InChIKeyAGSLZCUFLYJGLM-UHFFFAOYSA-N
XLogP0.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 14978582) is 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)c1ncn[nH]1.
What is the InChIKey of 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is AGSLZCUFLYJGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9(19)17-11(12-15-8-16-18-12)13(20)14-7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,20)(H,17,19)(H,15,16,18).
What are the key properties of 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 273.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 14978582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).