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

C12H11N5O4 — CID 6865279

IUPAC2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C12H11N5O4/c18-8-3-1-2-7(4-8)6-13-16-10(19)5-9-11(20)14-12(21)17-15-9/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21)/b13-6+
InChIKeyRNRLIXQYUVBVHH-AWNIVKPZSA-N
MW289.25 g/mol
LogP-1.14
Rot. Bonds4

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

2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 6865279) 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-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
PubChem CID6865279
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C12H11N5O4/c18-8-3-1-2-7(4-8)6-13-16-10(19)5-9-11(20)14-12(21)17-15-9/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21)/b13-6+
InChIKeyRNRLIXQYUVBVHH-AWNIVKPZSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide (CID 6865279) is 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide is O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(O)c1.
What is the InChIKey of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is RNRLIXQYUVBVHH-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H11N5O4/c18-8-3-1-2-7(4-8)6-13-16-10(19)5-9-11(20)14-12(21)17-15-9/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21)/b13-6+.
What are the key properties of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(3-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-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6865279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).