4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione

C8H11N7O3 — CID 80921274

IUPAC4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESCOc1nc(NN)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C8H11N7O3/c1-18-8-12-6(14-9)11-7(13-8)15-2-4(16)10-5(17)3-15/h2-3,9H2,1H3,(H,10,16,17)(H,11,12,13,14)
InChIKeyFXWQJKSOTZWIFY-UHFFFAOYSA-N
MW253.22 g/mol
LogP-2.37
Rot. Bonds3

About 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione

4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione (PubChem CID 80921274) has the molecular formula C8H11N7O3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
PubChem CID80921274
Molecular FormulaC8H11N7O3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESCOc1nc(NN)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C8H11N7O3/c1-18-8-12-6(14-9)11-7(13-8)15-2-4(16)10-5(17)3-15/h2-3,9H2,1H3,(H,10,16,17)(H,11,12,13,14)
InChIKeyFXWQJKSOTZWIFY-UHFFFAOYSA-N
XLogP-2.37
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione 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

4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855575
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 80931369
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272
[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80856196
[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929797
ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877882
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322588
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione
CID 80925206
[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 114238717

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The IUPAC name of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione (CID 80921274) is 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione is COc1nc(NN)nc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The InChIKey is FXWQJKSOTZWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O3/c1-18-8-12-6(14-9)11-7(13-8)15-2-4(16)10-5(17)3-15/h2-3,9H2,1H3,(H,10,16,17)(H,11,12,13,14).
What are the key properties of 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione?
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione has a molecular weight of 253.22 g/mol, XLogP of -2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 80921274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).