4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol

C11H18N4O2 — CID 81132046

IUPAC4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
SMILESNNc1cccc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C11H18N4O2/c12-15-10-3-1-2-9(14-10)13-8-11(16)4-6-17-7-5-11/h1-3,16H,4-8,12H2,(H2,13,14,15)
InChIKeyDLBBVCVEELCBMC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.32
Rot. Bonds4

About 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol

4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol (PubChem CID 81132046) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
PubChem CID81132046
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
SMILESNNc1cccc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C11H18N4O2/c12-15-10-3-1-2-9(14-10)13-8-11(16)4-6-17-7-5-11/h1-3,16H,4-8,12H2,(H2,13,14,15)
InChIKeyDLBBVCVEELCBMC-UHFFFAOYSA-N
XLogP0.32
TPSA92.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol (CID 81132046) is 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol is NNc1cccc(NCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol?
The InChIKey is DLBBVCVEELCBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-15-10-3-1-2-9(14-10)13-8-11(16)4-6-17-7-5-11/h1-3,16H,4-8,12H2,(H2,13,14,15).
What are the key properties of 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol?
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol has a molecular weight of 238.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81132046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).