2-(4-acetamidotriazol-1-yl)-N-benzylacetamide

C13H15N5O2 — CID 112520101

IUPAC2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
SMILESCC(=O)Nc1cn(CC(=O)NCc2ccccc2)nn1
InChIInChI=1S/C13H15N5O2/c1-10(19)15-12-8-18(17-16-12)9-13(20)14-7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,14,20)(H,15,19)
InChIKeyKQKRYATWVOLWHS-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.55
Rot. Bonds5

About 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide

2-(4-acetamidotriazol-1-yl)-N-benzylacetamide (PubChem CID 112520101) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
PubChem CID112520101
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
SMILESCC(=O)Nc1cn(CC(=O)NCc2ccccc2)nn1
InChIInChI=1S/C13H15N5O2/c1-10(19)15-12-8-18(17-16-12)9-13(20)14-7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,14,20)(H,15,19)
InChIKeyKQKRYATWVOLWHS-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528878
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112522313
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
methyl N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522309
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide (CID 112520101) is 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide is CC(=O)Nc1cn(CC(=O)NCc2ccccc2)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide?
The InChIKey is KQKRYATWVOLWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-10(19)15-12-8-18(17-16-12)9-13(20)14-7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,14,20)(H,15,19).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide?
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide has a molecular weight of 273.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-benzylacetamide is sourced from PubChem (CID 112520101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).