[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine

C13H16N4O2 — CID 105307421

IUPAC[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1nccc1C(NN)c1cccc2c1OCCO2
InChIInChI=1S/C13H16N4O2/c1-17-10(5-6-15-17)12(16-14)9-3-2-4-11-13(9)19-8-7-18-11/h2-6,12,16H,7-8,14H2,1H3
InChIKeyAWINAQYYPCBIML-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.74
Rot. Bonds3

About [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine

[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105307421) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine
PubChem CID105307421
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1nccc1C(NN)c1cccc2c1OCCO2
InChIInChI=1S/C13H16N4O2/c1-17-10(5-6-15-17)12(16-14)9-3-2-4-11-13(9)19-8-7-18-11/h2-6,12,16H,7-8,14H2,1H3
InChIKeyAWINAQYYPCBIML-UHFFFAOYSA-N
XLogP0.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987
[(2-methylpyrazol-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105213181
[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335368
[(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydrazine
CID 105301665
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316501
[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine
CID 105311989
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322925
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508
[(2-methylpyrazol-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843262
[(2-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105307385
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105130946

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine (CID 105307421) is [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine is Cn1nccc1C(NN)c1cccc2c1OCCO2.
What is the InChIKey of [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is AWINAQYYPCBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-10(5-6-15-17)12(16-14)9-3-2-4-11-13(9)19-8-7-18-11/h2-6,12,16H,7-8,14H2,1H3.
What are the key properties of [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine?
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 260.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105307421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).