[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine

C11H18N4O — CID 79231202

IUPAC[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
SMILESNNc1cccc(CN2CCCOCC2)n1
InChIInChI=1S/C11H18N4O/c12-14-11-4-1-3-10(13-11)9-15-5-2-7-16-8-6-15/h1,3-4H,2,5-9,12H2,(H,13,14)
InChIKeyBURDWCWURAVVMG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds3

About [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine

[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine (PubChem CID 79231202) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
PubChem CID79231202
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
SMILESNNc1cccc(CN2CCCOCC2)n1
InChIInChI=1S/C11H18N4O/c12-14-11-4-1-3-10(13-11)9-15-5-2-7-16-8-6-15/h1,3-4H,2,5-9,12H2,(H,13,14)
InChIKeyBURDWCWURAVVMG-UHFFFAOYSA-N
XLogP0.59
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.59
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'}

Analyze [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(azetidin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 126980714
N-methyl-6-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 79231761
6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 79231488
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242779
2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226409
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234596
[6-[(4-propan-2-ylazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79233623
[6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234141
[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655372
[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242934
3-[(6-hydrazinyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 79232591

Frequently Asked Questions

What is the IUPAC name of [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine (CID 79231202) is [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine is NNc1cccc(CN2CCCOCC2)n1.
What is the InChIKey of [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine?
The InChIKey is BURDWCWURAVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-14-11-4-1-3-10(13-11)9-15-5-2-7-16-8-6-15/h1,3-4H,2,5-9,12H2,(H,13,14).
What are the key properties of [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine?
[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine has a molecular weight of 222.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 79231202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).