[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine

C16H19N3O2 — CID 105212034

IUPAC[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
SMILESNNC(Cc1cccnc1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H19N3O2/c17-19-14(9-12-3-1-6-18-11-12)13-4-5-15-16(10-13)21-8-2-7-20-15/h1,3-6,10-11,14,19H,2,7-9,17H2
InChIKeyMOVBYVKHAJGKBL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds4

About [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine (PubChem CID 105212034) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
PubChem CID105212034
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
SMILESNNC(Cc1cccnc1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H19N3O2/c17-19-14(9-12-3-1-6-18-11-12)13-4-5-15-16(10-13)21-8-2-7-20-15/h1,3-6,10-11,14,19H,2,7-9,17H2
InChIKeyMOVBYVKHAJGKBL-UHFFFAOYSA-N
XLogP1.99
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
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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Related Compounds

[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine
CID 107292272
[1-(4-cyclopropyloxyphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105212080
[1-(6-chloro-3-pyridinyl)-2-pyridin-3-ylethyl]hydrazine
CID 105253061
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104542511
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211958
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105302957
[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine
CID 105215012
[1-(3-bromo-5-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333652
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]benzenesulfonamide
CID 56728493
(2-pyridin-3-yl-1-pyrimidin-4-ylethyl)hydrazine
CID 105221030

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine (CID 105212034) is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine is NNC(Cc1cccnc1)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine?
The InChIKey is MOVBYVKHAJGKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-19-14(9-12-3-1-6-18-11-12)13-4-5-15-16(10-13)21-8-2-7-20-15/h1,3-6,10-11,14,19H,2,7-9,17H2.
What are the key properties of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine?
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine has a molecular weight of 285.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine is sourced from PubChem (CID 105212034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).