2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol

C11H17ClN4O — CID 62890480

IUPAC2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol
SMILESNNc1ccc(Cl)c(CN(CCO)C2CC2)n1
InChIInChI=1S/C11H17ClN4O/c12-9-3-4-11(15-13)14-10(9)7-16(5-6-17)8-1-2-8/h3-4,8,17H,1-2,5-7,13H2,(H,14,15)
InChIKeyINABWMVGGZDHLI-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.98
Rot. Bonds6

About 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol

2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol (PubChem CID 62890480) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol
PubChem CID62890480
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol
SMILESNNc1ccc(Cl)c(CN(CCO)C2CC2)n1
InChIInChI=1S/C11H17ClN4O/c12-9-3-4-11(15-13)14-10(9)7-16(5-6-17)8-1-2-8/h3-4,8,17H,1-2,5-7,13H2,(H,14,15)
InChIKeyINABWMVGGZDHLI-UHFFFAOYSA-N
XLogP0.98
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol (CID 62890480) is 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol is NNc1ccc(Cl)c(CN(CCO)C2CC2)n1.
What is the InChIKey of 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol?
The InChIKey is INABWMVGGZDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-9-3-4-11(15-13)14-10(9)7-16(5-6-17)8-1-2-8/h3-4,8,17H,1-2,5-7,13H2,(H,14,15).
What are the key properties of 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol?
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol has a molecular weight of 256.74 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 62890480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).