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

C14H16N6O4 — CID 6864469

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1/C=N/NC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H16N6O4/c1-2-24-10-6-4-3-5-9(10)7-16-18-11(21)8-15-12-13(22)17-14(23)20-19-12/h3-7H,2,8H2,1H3,(H,15,19)(H,18,21)(H2,17,20,22,23)/b16-7+
InChIKeyYXBXIPWDPVPYCY-FRKPEAEDSA-N
MW332.32 g/mol
LogP-0.58
Rot. Bonds7

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

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 6864469) has the molecular formula C14H16N6O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
PubChem CID6864469
Molecular FormulaC14H16N6O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1/C=N/NC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H16N6O4/c1-2-24-10-6-4-3-5-9(10)7-16-18-11(21)8-15-12-13(22)17-14(23)20-19-12/h3-7H,2,8H2,1H3,(H,15,19)(H,18,21)(H2,17,20,22,23)/b16-7+
InChIKeyYXBXIPWDPVPYCY-FRKPEAEDSA-N
XLogP-0.58
TPSA141.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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)amino]-N-[(E)-(2-ethoxyphenyl)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)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide (CID 6864469) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccccc1/C=N/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]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is YXBXIPWDPVPYCY-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H16N6O4/c1-2-24-10-6-4-3-5-9(10)7-16-18-11(21)8-15-12-13(22)17-14(23)20-19-12/h3-7H,2,8H2,1H3,(H,15,19)(H,18,21)(H2,17,20,22,23)/b16-7+.
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 332.32 g/mol, XLogP of -0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6864469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).