3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine

C14H16N4O2 — CID 105230197

IUPAC3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine
SMILESNNC(c1cnccc1N)C1COc2ccccc2O1
InChIInChI=1S/C14H16N4O2/c15-10-5-6-17-7-9(10)14(18-16)13-8-19-11-3-1-2-4-12(11)20-13/h1-7,13-14,18H,8,16H2,(H2,15,17)
InChIKeyFJJRNZIRVFLCFK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.01
Rot. Bonds3

About 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine

3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine (PubChem CID 105230197) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine
PubChem CID105230197
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine
SMILESNNC(c1cnccc1N)C1COc2ccccc2O1
InChIInChI=1S/C14H16N4O2/c15-10-5-6-17-7-9(10)14(18-16)13-8-19-11-3-1-2-4-12(11)20-13/h1-7,13-14,18H,8,16H2,(H2,15,17)
InChIKeyFJJRNZIRVFLCFK-UHFFFAOYSA-N
XLogP1.01
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine 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

[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105230225
[(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230172
[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105230157
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-4-amine
CID 65412264
3-[(2-aminophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105223806
(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylethanamine
CID 124513819
[cyclohexyl(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230206
(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 65350710
3-[hydrazinyl-(2-methylphenyl)methyl]pyridin-4-amine
CID 105200409
3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
CID 103347226
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine (CID 105230197) is 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine is NNC(c1cnccc1N)C1COc2ccccc2O1.
What is the InChIKey of 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine?
The InChIKey is FJJRNZIRVFLCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-10-5-6-17-7-9(10)14(18-16)13-8-19-11-3-1-2-4-12(11)20-13/h1-7,13-14,18H,8,16H2,(H2,15,17).
What are the key properties of 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine?
3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine is sourced from PubChem (CID 105230197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).