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

C14H15N5O4 — CID 6863854

IUPAC2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1/C=N/NC(=O)Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H15N5O4/c1-2-23-11-6-4-3-5-9(11)8-15-18-12(20)7-10-13(21)16-14(22)19-17-10/h3-6,8H,2,7H2,1H3,(H,18,20)(H2,16,19,21,22)/b15-8+
InChIKeySOLVRRQSUCTFOK-OVCLIPMQSA-N
MW317.31 g/mol
LogP-0.45
Rot. Bonds6

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

2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 6863854) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
PubChem CID6863854
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1/C=N/NC(=O)Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H15N5O4/c1-2-23-11-6-4-3-5-9(11)8-15-18-12(20)7-10-13(21)16-14(22)19-17-10/h3-6,8H,2,7H2,1H3,(H,18,20)(H2,16,19,21,22)/b15-8+
InChIKeySOLVRRQSUCTFOK-OVCLIPMQSA-N
XLogP-0.45
TPSA129.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
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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Related Compounds

3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]propanamide
CID 136787380
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338639
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 110338553
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]propanamide
CID 6865283
N-[(2-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128539
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 136786975

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide (CID 6863854) is 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccccc1/C=N/NC(=O)Cc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is SOLVRRQSUCTFOK-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-2-23-11-6-4-3-5-9(11)8-15-18-12(20)7-10-13(21)16-14(22)19-17-10/h3-6,8H,2,7H2,1H3,(H,18,20)(H2,16,19,21,22)/b15-8+.
What are the key properties of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide?
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 317.31 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 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)-(2-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6863854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).