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

C12H11N5O4 — CID 687796

IUPAC2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccccc1O
InChIInChI=1S/C12H11N5O4/c18-9-4-2-1-3-7(9)6-13-16-10(19)5-8-11(20)14-12(21)17-15-8/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21)
InChIKeyYZOUGHWZRRZIAN-UHFFFAOYSA-N
MW289.25 g/mol
LogP-1.14
Rot. Bonds4

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

2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 687796) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID687796
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccccc1O
InChIInChI=1S/C12H11N5O4/c18-9-4-2-1-3-7(9)6-13-16-10(19)5-8-11(20)14-12(21)17-15-8/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21)
InChIKeyYZOUGHWZRRZIAN-UHFFFAOYSA-N
XLogP-1.14
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide 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)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide (CID 687796) is 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccccc1O.
What is the InChIKey of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is YZOUGHWZRRZIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c18-9-4-2-1-3-7(9)6-13-16-10(19)5-8-11(20)14-12(21)17-15-8/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21).
What are the key properties of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 289.25 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 687796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).