2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione

C10H10N4O3 — CID 73296362

IUPAC2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione
SMILESO=c1[nH]c(=O)n(CCc2ccccn2)[nH]c1=O
InChIInChI=1S/C10H10N4O3/c15-8-9(16)13-14(10(17)12-8)6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H,13,16)(H,12,15,17)
InChIKeyDIYWXPZODYIZLJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP-1.14
Rot. Bonds3

About 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione

2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione (PubChem CID 73296362) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione
PubChem CID73296362
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione
SMILESO=c1[nH]c(=O)n(CCc2ccccn2)[nH]c1=O
InChIInChI=1S/C10H10N4O3/c15-8-9(16)13-14(10(17)12-8)6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H,13,16)(H,12,15,17)
InChIKeyDIYWXPZODYIZLJ-UHFFFAOYSA-N
XLogP-1.14
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
1,2-Dihydro-1-(2-(2-pyridyl)-ethyl)-3,6-pyridazinedione
CID 265886
2-(2-cyclooctylidenehydrazinyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 5023161
N-methyl-2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]acetamide
CID 9593898
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-(pyridin-2-yl)ethyl)acetamide
CID 45280797
Imidodicarbonic diamide, N,2-dimethyl-N'-(2-pyridinylmethyl)-
CID 3059240
2-(2-cyclododecylidenehydrazino)-2-oxo-N-(2-pyridinylmethyl)acetamide
CID 3113989
N-(pyridin-4-ylmethyl)-N'-[(E)-pyridin-2-ylmethylideneamino]oxamide
CID 9593466
2-(4-amino-2-oxopyrimidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 44144251
2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 44144263
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 45280789
1,3-Dimethyl-5-(pyridin-3-ylamino)-1,3-diazinane-2,4-dione
CID 44457519

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione?
The IUPAC name of 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione (CID 73296362) is 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione.
What is the SMILES notation for 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione?
The canonical SMILES for 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione is O=c1[nH]c(=O)n(CCc2ccccn2)[nH]c1=O.
What is the InChIKey of 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione?
The InChIKey is DIYWXPZODYIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-8-9(16)13-14(10(17)12-8)6-4-7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H,13,16)(H,12,15,17).
What are the key properties of 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione?
2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione has a molecular weight of 234.22 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethyl)-1,2,4-triazinane-3,5,6-trione is sourced from PubChem (CID 73296362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).