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

C9H15N5O3 — CID 54357549

IUPAC2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
SMILESCN(C)CC(=O)NCCn1cn[nH]c(=O)c1=O
InChIInChI=1S/C9H15N5O3/c1-13(2)5-7(15)10-3-4-14-6-11-12-8(16)9(14)17/h6H,3-5H2,1-2H3,(H,10,15)(H,12,16)
InChIKeyQVZLQYQFKUQHLY-UHFFFAOYSA-N
MW241.25 g/mol
LogP-2.39
Rot. Bonds5

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

2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide (PubChem CID 54357549) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
PubChem CID54357549
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
SMILESCN(C)CC(=O)NCCn1cn[nH]c(=O)c1=O
InChIInChI=1S/C9H15N5O3/c1-13(2)5-7(15)10-3-4-14-6-11-12-8(16)9(14)17/h6H,3-5H2,1-2H3,(H,10,15)(H,12,16)
InChIKeyQVZLQYQFKUQHLY-UHFFFAOYSA-N
XLogP-2.39
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-2.39
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-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide (CID 54357549) is 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide is CN(C)CC(=O)NCCn1cn[nH]c(=O)c1=O.
What is the InChIKey of 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The InChIKey is QVZLQYQFKUQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-13(2)5-7(15)10-3-4-14-6-11-12-8(16)9(14)17/h6H,3-5H2,1-2H3,(H,10,15)(H,12,16).
What are the key properties of 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide has a molecular weight of 241.25 g/mol, XLogP of -2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide is sourced from PubChem (CID 54357549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).