2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide

C15H18N4O2 — CID 82202551

IUPAC2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide
SMILESCC(=O)c1nnn(CC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C15H18N4O2/c1-11-15(12(2)20)16-17-19(11)10-14(21)18(3)9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyLESGSIVMXRAKEZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide

2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide (PubChem CID 82202551) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide
PubChem CID82202551
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide
SMILESCC(=O)c1nnn(CC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C15H18N4O2/c1-11-15(12(2)20)16-17-19(11)10-14(21)18(3)9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyLESGSIVMXRAKEZ-UHFFFAOYSA-N
XLogP1.45
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide (CID 82202551) is 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide is CC(=O)c1nnn(CC(=O)N(C)Cc2ccccc2)c1C.
What is the InChIKey of 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide?
The InChIKey is LESGSIVMXRAKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-15(12(2)20)16-17-19(11)10-14(21)18(3)9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide?
2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide has a molecular weight of 286.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-5-methyltriazol-1-yl)-N-benzyl-N-methylacetamide is sourced from PubChem (CID 82202551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).