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

C7H10N4O4 — CID 3457387

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid
SMILESCCC(Nc1n[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H10N4O4/c1-2-3(6(13)14)8-4-5(12)9-7(15)11-10-4/h3H,2H2,1H3,(H,8,10)(H,13,14)(H2,9,11,12,15)
InChIKeyZTOLJVKBVSVWFX-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.27
Rot. Bonds4

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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid (PubChem CID 3457387) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid
PubChem CID3457387
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid
SMILESCCC(Nc1n[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H10N4O4/c1-2-3(6(13)14)8-4-5(12)9-7(15)11-10-4/h3H,2H2,1H3,(H,8,10)(H,13,14)(H2,9,11,12,15)
InChIKeyZTOLJVKBVSVWFX-UHFFFAOYSA-N
XLogP-1.27
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid (CID 3457387) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid is CCC(Nc1n[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid?
The InChIKey is ZTOLJVKBVSVWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-2-3(6(13)14)8-4-5(12)9-7(15)11-10-4/h3H,2H2,1H3,(H,8,10)(H,13,14)(H2,9,11,12,15).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.27, 4 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]butanoic acid is sourced from PubChem (CID 3457387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).