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

C13H24N4O2 — CID 84597866

IUPACN-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide
SMILESCc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-9-15-17(13(5,6)7)11(19)16(9)8-10(18)14-12(2,3)4/h8H2,1-7H3,(H,14,18)
InChIKeyHDDVIGJDQPCXFD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.02
Rot. Bonds2

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

N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide (PubChem CID 84597866) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide
PubChem CID84597866
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide
SMILESCc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-9-15-17(13(5,6)7)11(19)16(9)8-10(18)14-12(2,3)4/h8H2,1-7H3,(H,14,18)
InChIKeyHDDVIGJDQPCXFD-UHFFFAOYSA-N
XLogP1.02
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide (CID 84597866) is N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide is Cc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide?
The InChIKey is HDDVIGJDQPCXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9-15-17(13(5,6)7)11(19)16(9)8-10(18)14-12(2,3)4/h8H2,1-7H3,(H,14,18).
What are the key properties of N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide?
N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 84597866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).