2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide

C14H26N4O2 — CID 84597637

IUPAC2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide
SMILESCC(C)CC(NC(=O)Cn1ncn(C)c1=O)C(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-10(2)7-11(14(3,4)5)16-12(19)8-18-13(20)17(6)9-15-18/h9-11H,7-8H2,1-6H3,(H,16,19)
InChIKeyZIXKBQNQRWZOIV-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.16
Rot. Bonds5

About 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide (PubChem CID 84597637) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide
PubChem CID84597637
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide
SMILESCC(C)CC(NC(=O)Cn1ncn(C)c1=O)C(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-10(2)7-11(14(3,4)5)16-12(19)8-18-13(20)17(6)9-15-18/h9-11H,7-8H2,1-6H3,(H,16,19)
InChIKeyZIXKBQNQRWZOIV-UHFFFAOYSA-N
XLogP1.16
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide (CID 84597637) is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide is CC(C)CC(NC(=O)Cn1ncn(C)c1=O)C(C)(C)C.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide?
The InChIKey is ZIXKBQNQRWZOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)7-11(14(3,4)5)16-12(19)8-18-13(20)17(6)9-15-18/h9-11H,7-8H2,1-6H3,(H,16,19).
What are the key properties of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide?
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(2,2,5-trimethylhexan-3-yl)acetamide is sourced from PubChem (CID 84597637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).