3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide

C15H17N5O3 — CID 4060137

IUPAC3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide
SMILESCC(=CNNC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H17N5O3/c1-10(11-5-3-2-4-6-11)9-16-19-13(21)8-7-12-14(22)17-15(23)20-18-12/h2-6,9,16H,7-8H2,1H3,(H,19,21)(H2,17,20,22,23)
InChIKeyJUWYQCKCQXIGGY-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.07
Rot. Bonds6

About 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide

3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide (PubChem CID 4060137) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide
PubChem CID4060137
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide
SMILESCC(=CNNC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H17N5O3/c1-10(11-5-3-2-4-6-11)9-16-19-13(21)8-7-12-14(22)17-15(23)20-18-12/h2-6,9,16H,7-8H2,1H3,(H,19,21)(H2,17,20,22,23)
InChIKeyJUWYQCKCQXIGGY-UHFFFAOYSA-N
XLogP0.07
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanehydrazide
CID 597792
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]propanamide
CID 6865283
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-ethylphenyl)methylideneamino]propanamide
CID 6863881
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 91821682
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate
CID 3456895
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 21205758
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91821860
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 71706475
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanamide
CID 91822805
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 7066044
6-phenyl-3-[2-(2-phenylprop-1-enyl)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135400729

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide?
The IUPAC name of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide (CID 4060137) is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide.
What is the SMILES notation for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide?
The canonical SMILES for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide is CC(=CNNC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide?
The InChIKey is JUWYQCKCQXIGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(11-5-3-2-4-6-11)9-16-19-13(21)8-7-12-14(22)17-15(23)20-18-12/h2-6,9,16H,7-8H2,1H3,(H,19,21)(H2,17,20,22,23).
What are the key properties of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide?
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide has a molecular weight of 315.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-(2-phenylprop-1-enyl)propanehydrazide is sourced from PubChem (CID 4060137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).