N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide

C14H22N4O3 — CID 134333641

IUPACN-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(C)c(C)c(=O)n(C)[nH]c(C)cc1=O
InChIInChI=1S/C14H22N4O3/c1-9-8-13(20)18(7-6-15-12(4)19)11(3)10(2)14(21)17(5)16-9/h8,16H,6-7H2,1-5H3,(H,15,19)/b9-8-,11-10-
InChIKeyIBPSDNOPBZHEHU-XESWYYRISA-N
MW294.36 g/mol
LogP0.06
Rot. Bonds3

About N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide

N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide (PubChem CID 134333641) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide
PubChem CID134333641
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(C)c(C)c(=O)n(C)[nH]c(C)cc1=O
InChIInChI=1S/C14H22N4O3/c1-9-8-13(20)18(7-6-15-12(4)19)11(3)10(2)14(21)17(5)16-9/h8,16H,6-7H2,1-5H3,(H,15,19)/b9-8-,11-10-
InChIKeyIBPSDNOPBZHEHU-XESWYYRISA-N
XLogP0.06
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide (CID 134333641) is N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide is CC(=O)NCCn1c(C)c(C)c(=O)n(C)[nH]c(C)cc1=O.
What is the InChIKey of N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide?
The InChIKey is IBPSDNOPBZHEHU-XESWYYRISA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-8-13(20)18(7-6-15-12(4)19)11(3)10(2)14(21)17(5)16-9/h8,16H,6-7H2,1-5H3,(H,15,19)/b9-8-,11-10-.
What are the key properties of N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide?
N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide has a molecular weight of 294.36 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide is sourced from PubChem (CID 134333641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).