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

C7H11N5O3 — CID 54166910

IUPAC2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
SMILESNCC(=O)NCCn1cn[nH]c(=O)c1=O
InChIInChI=1S/C7H11N5O3/c8-3-5(13)9-1-2-12-4-10-11-6(14)7(12)15/h4H,1-3,8H2,(H,9,13)(H,11,14)
InChIKeyUJNOZIRNQZYXIQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP-2.99
Rot. Bonds4

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

2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide (PubChem CID 54166910) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
PubChem CID54166910
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide
SMILESNCC(=O)NCCn1cn[nH]c(=O)c1=O
InChIInChI=1S/C7H11N5O3/c8-3-5(13)9-1-2-12-4-10-11-6(14)7(12)15/h4H,1-3,8H2,(H,9,13)(H,11,14)
InChIKeyUJNOZIRNQZYXIQ-UHFFFAOYSA-N
XLogP-2.99
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
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-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide (CID 54166910) is 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide is NCC(=O)NCCn1cn[nH]c(=O)c1=O.
What is the InChIKey of 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
The InChIKey is UJNOZIRNQZYXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c8-3-5(13)9-1-2-12-4-10-11-6(14)7(12)15/h4H,1-3,8H2,(H,9,13)(H,11,14).
What are the key properties of 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide?
2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide has a molecular weight of 213.20 g/mol, XLogP of -2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5,6-dioxo-1H-1,2,4-triazin-4-yl)ethyl]acetamide is sourced from PubChem (CID 54166910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).