2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide

C5H7N5O3 — CID 1269462

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
SMILESNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N5O3/c6-2(11)1-7-3-4(12)8-5(13)10-9-3/h1H2,(H2,6,11)(H,7,9)(H2,8,10,12,13)
InChIKeyLXWRRWGYQJALEN-UHFFFAOYSA-N
MW185.14 g/mol
LogP-2.64
Rot. Bonds3

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide (PubChem CID 1269462) has the molecular formula C5H7N5O3 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
PubChem CID1269462
Molecular FormulaC5H7N5O3
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
SMILESNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N5O3/c6-2(11)1-7-3-4(12)8-5(13)10-9-3/h1H2,(H2,6,11)(H,7,9)(H2,8,10,12,13)
InChIKeyLXWRRWGYQJALEN-UHFFFAOYSA-N
XLogP-2.64
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-2.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide (CID 1269462) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide is NC(=O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide?
The InChIKey is LXWRRWGYQJALEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3/c6-2(11)1-7-3-4(12)8-5(13)10-9-3/h1H2,(H2,6,11)(H,7,9)(H2,8,10,12,13).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide has a molecular weight of 185.14 g/mol, XLogP of -2.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide is sourced from PubChem (CID 1269462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).