2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

C11H22N6O2 — CID 80919371

IUPAC2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCOc1nc(NN)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C11H22N6O2/c1-4-11(5-2,7-18)16-8-13-9(17-12)15-10(14-8)19-6-3/h18H,4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyZPYIFDJUDTZFOB-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.52
Rot. Bonds8

About 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (PubChem CID 80919371) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
PubChem CID80919371
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCOc1nc(NN)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C11H22N6O2/c1-4-11(5-2,7-18)16-8-13-9(17-12)15-10(14-8)19-6-3/h18H,4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyZPYIFDJUDTZFOB-UHFFFAOYSA-N
XLogP0.52
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (CID 80919371) is 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is CCOc1nc(NN)nc(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is ZPYIFDJUDTZFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-4-11(5-2,7-18)16-8-13-9(17-12)15-10(14-8)19-6-3/h18H,4-7,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 0.52, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 80919371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).