2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol

C12H24N6O2 — CID 80919451

IUPAC2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCCOc1nc(NN)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C12H24N6O2/c1-4-7-20-11-15-9(14-10(16-11)18-13)17-12(5-2,6-3)8-19/h19H,4-8,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySWMCAVXEMSAUTM-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.91
Rot. Bonds9

About 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol

2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 80919451) has the molecular formula C12H24N6O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID80919451
Molecular FormulaC12H24N6O2
Molecular Weight284.36 g/mol
Exact Mass284.20
IUPAC Name2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCCOc1nc(NN)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C12H24N6O2/c1-4-7-20-11-15-9(14-10(16-11)18-13)17-12(5-2,6-3)8-19/h19H,4-8,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeySWMCAVXEMSAUTM-UHFFFAOYSA-N
XLogP0.91
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.91
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-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 80919451) is 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol is CCCOc1nc(NN)nc(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is SWMCAVXEMSAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2/c1-4-7-20-11-15-9(14-10(16-11)18-13)17-12(5-2,6-3)8-19/h19H,4-8,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 0.91, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 80919451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).