2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide

C11H19N5O3 — CID 54534613

IUPAC2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
SMILESCCN(CC)CC(=O)NCCn1cn[nH]c(=O)c1=O
InChIInChI=1S/C11H19N5O3/c1-3-15(4-2)7-9(17)12-5-6-16-8-13-14-10(18)11(16)19/h8H,3-7H2,1-2H3,(H,12,17)(H,14,18)
InChIKeyDBJHACYNLQETNU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.61
Rot. Bonds7

About 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide

2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide (PubChem CID 54534613) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
PubChem CID54534613
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
SMILESCCN(CC)CC(=O)NCCn1cn[nH]c(=O)c1=O
InChIInChI=1S/C11H19N5O3/c1-3-15(4-2)7-9(17)12-5-6-16-8-13-14-10(18)11(16)19/h8H,3-7H2,1-2H3,(H,12,17)(H,14,18)
InChIKeyDBJHACYNLQETNU-UHFFFAOYSA-N
XLogP-1.61
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide (CID 54534613) is 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide is CCN(CC)CC(=O)NCCn1cn[nH]c(=O)c1=O.
What is the InChIKey of 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The InChIKey is DBJHACYNLQETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-3-15(4-2)7-9(17)12-5-6-16-8-13-14-10(18)11(16)19/h8H,3-7H2,1-2H3,(H,12,17)(H,14,18).
What are the key properties of 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of -1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide is sourced from PubChem (CID 54534613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).