2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide

C15H16N6O3 — CID 2788406

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(C=NNC(=O)CNc1n[nH]c(=O)[nH]c1=O)=Cc1ccccc1
InChIInChI=1S/C15H16N6O3/c1-10(7-11-5-3-2-4-6-11)8-17-19-12(22)9-16-13-14(23)18-15(24)21-20-13/h2-8H,9H2,1H3,(H,16,20)(H,19,22)(H2,18,21,23,24)
InChIKeyZJKBPYTVPUCBHM-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.08
Rot. Bonds6

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (PubChem CID 2788406) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
PubChem CID2788406
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(C=NNC(=O)CNc1n[nH]c(=O)[nH]c1=O)=Cc1ccccc1
InChIInChI=1S/C15H16N6O3/c1-10(7-11-5-3-2-4-6-11)8-17-19-12(22)9-16-13-14(23)18-15(24)21-20-13/h2-8H,9H2,1H3,(H,16,20)(H,19,22)(H2,18,21,23,24)
InChIKeyZJKBPYTVPUCBHM-UHFFFAOYSA-N
XLogP0.08
TPSA132.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.08
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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Related Compounds

3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
CID 6863885
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 110337447
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 110337000
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 687805
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 5497620
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 5392925
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 687606
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 1181956
2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4521750
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 135412127

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (CID 2788406) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is CC(C=NNC(=O)CNc1n[nH]c(=O)[nH]c1=O)=Cc1ccccc1.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The InChIKey is ZJKBPYTVPUCBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-10(7-11-5-3-2-4-6-11)8-17-19-12(22)9-16-13-14(23)18-15(24)21-20-13/h2-8H,9H2,1H3,(H,16,20)(H,19,22)(H2,18,21,23,24).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide has a molecular weight of 328.33 g/mol, XLogP of 0.08, 6 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)amino]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is sourced from PubChem (CID 2788406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).