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

C13H15N5O2 — CID 14978588

IUPAC2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cncn1
InChIInChI=1S/C13H15N5O2/c1-10(19)17-12(18-9-14-8-16-18)13(20)15-7-11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,15,20)(H,17,19)
InChIKeyGCIWBWPDUSETMS-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.23
Rot. Bonds5

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

2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 14978588) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID14978588
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cncn1
InChIInChI=1S/C13H15N5O2/c1-10(19)17-12(18-9-14-8-16-18)13(20)15-7-11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,15,20)(H,17,19)
InChIKeyGCIWBWPDUSETMS-UHFFFAOYSA-N
XLogP0.23
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide (CID 14978588) is 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)n1cncn1.
What is the InChIKey of 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is GCIWBWPDUSETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-10(19)17-12(18-9-14-8-16-18)13(20)15-7-11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,15,20)(H,17,19).
What are the key properties of 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide?
2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 273.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 14978588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).