[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine

C15H18N4O — CID 63192948

IUPAC[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(CN2CCOc3ccccc3C2)cn1
InChIInChI=1S/C15H18N4O/c16-18-15-6-5-12(9-17-15)10-19-7-8-20-14-4-2-1-3-13(14)11-19/h1-6,9H,7-8,10-11,16H2,(H,17,18)
InChIKeyXIXZPAXZLMHGTO-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.76
Rot. Bonds3

About [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine

[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine (PubChem CID 63192948) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine
PubChem CID63192948
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(CN2CCOc3ccccc3C2)cn1
InChIInChI=1S/C15H18N4O/c16-18-15-6-5-12(9-17-15)10-19-7-8-20-14-4-2-1-3-13(14)11-19/h1-6,9H,7-8,10-11,16H2,(H,17,18)
InChIKeyXIXZPAXZLMHGTO-UHFFFAOYSA-N
XLogP1.76
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
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 [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine (CID 63192948) is [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine is NNc1ccc(CN2CCOc3ccccc3C2)cn1.
What is the InChIKey of [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine?
The InChIKey is XIXZPAXZLMHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-18-15-6-5-12(9-17-15)10-19-7-8-20-14-4-2-1-3-13(14)11-19/h1-6,9H,7-8,10-11,16H2,(H,17,18).
What are the key properties of [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine?
[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine has a molecular weight of 270.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 63192948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).