4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione

C11H17N7O3 — CID 80925206

IUPAC4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione
SMILESCCOc1nc(NN)nc(N2CC(=O)NC(=O)C2CC)n1
InChIInChI=1S/C11H17N7O3/c1-3-6-8(20)13-7(19)5-18(6)10-14-9(17-12)15-11(16-10)21-4-2/h6H,3-5,12H2,1-2H3,(H,13,19,20)(H,14,15,16,17)
InChIKeyJFUADMMCGPLDCH-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.20
Rot. Bonds5

About 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione

4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 80925206) has the molecular formula C11H17N7O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione
PubChem CID80925206
Molecular FormulaC11H17N7O3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione
SMILESCCOc1nc(NN)nc(N2CC(=O)NC(=O)C2CC)n1
InChIInChI=1S/C11H17N7O3/c1-3-6-8(20)13-7(19)5-18(6)10-14-9(17-12)15-11(16-10)21-4-2/h6H,3-5,12H2,1-2H3,(H,13,19,20)(H,14,15,16,17)
InChIKeyJFUADMMCGPLDCH-UHFFFAOYSA-N
XLogP-1.20
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione (CID 80925206) is 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione is CCOc1nc(NN)nc(N2CC(=O)NC(=O)C2CC)n1.
What is the InChIKey of 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is JFUADMMCGPLDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O3/c1-3-6-8(20)13-7(19)5-18(6)10-14-9(17-12)15-11(16-10)21-4-2/h6H,3-5,12H2,1-2H3,(H,13,19,20)(H,14,15,16,17).
What are the key properties of 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione?
4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 295.30 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 80925206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).