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

C12H10FN5O3 — CID 6862582

IUPAC2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C12H10FN5O3/c13-8-3-1-7(2-4-8)6-14-17-10(19)5-9-11(20)15-12(21)18-16-9/h1-4,6H,5H2,(H,17,19)(H2,15,18,20,21)/b14-6+
InChIKeyCXSUDFGBVRKWQQ-MKMNVTDBSA-N
MW291.24 g/mol
LogP-0.71
Rot. Bonds4

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

2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide (PubChem CID 6862582) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
PubChem CID6862582
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC Name2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C12H10FN5O3/c13-8-3-1-7(2-4-8)6-14-17-10(19)5-9-11(20)15-12(21)18-16-9/h1-4,6H,5H2,(H,17,19)(H2,15,18,20,21)/b14-6+
InChIKeyCXSUDFGBVRKWQQ-MKMNVTDBSA-N
XLogP-0.71
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-N-[(E)-(4-fluorophenyl)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

Related Compounds

N-[(E)-(3-chlorophenyl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide
CID 6862580
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(1E)-3-phenylpropylidene]acetohydrazide
CID 9582574
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-phenylmethylidene]acetohydrazide
CID 6863844
N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-(3,5-dihydroxy-1,2,4-triazin-6-yl)acetohydrazide
CID 6865280
3-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)-N'-[(E)-phenylmethylidene]propanehydrazide
CID 6863872
(Z)-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-(2-fluorobenzylidene)acetohydrazide
CID 5344058
(E)-2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-(4-(trifluoromethyl)benzylidene)acetohydrazide
CID 5346859
3-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}propanehydrazide
CID 5347114
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]propanamide
CID 5398286
3-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-(4-fluorophenyl)methylidene]propanehydrazide
CID 6862581
(E)-N'-(2-chloro-6-fluorobenzylidene)-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
CID 6862661
(E)-2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)-N'-(2-fluorobenzylidene)acetohydrazide
CID 6865288

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide (CID 6862582) is 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide is O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is CXSUDFGBVRKWQQ-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H10FN5O3/c13-8-3-1-7(2-4-8)6-14-17-10(19)5-9-11(20)15-12(21)18-16-9/h1-4,6H,5H2,(H,17,19)(H2,15,18,20,21)/b14-6+.
What are the key properties of 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 291.24 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 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)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6862582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).