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

C13H17N5O2 — CID 105316501

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)c1cccc2c1OCCO2
InChIInChI=1S/C13H17N5O2/c1-18-12(15-8-16-18)7-10(17-14)9-3-2-4-11-13(9)20-6-5-19-11/h2-4,8,10,17H,5-7,14H2,1H3
InChIKeyCGGMNEXQRUJIGD-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.33
Rot. Bonds4

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

[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105316501) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105316501
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)c1cccc2c1OCCO2
InChIInChI=1S/C13H17N5O2/c1-18-12(15-8-16-18)7-10(17-14)9-3-2-4-11-13(9)20-6-5-19-11/h2-4,8,10,17H,5-7,14H2,1H3
InChIKeyCGGMNEXQRUJIGD-UHFFFAOYSA-N
XLogP0.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322925
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109818
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109204
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310293
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307421
4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
CID 105316424
[1-(2,4-dimethylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316455
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylidenepentyl]hydrazine
CID 105320330
[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 102805022
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105130946
[2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196128

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105316501) is [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is Cn1ncnc1CC(NN)c1cccc2c1OCCO2.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is CGGMNEXQRUJIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18-12(15-8-16-18)7-10(17-14)9-3-2-4-11-13(9)20-6-5-19-11/h2-4,8,10,17H,5-7,14H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 275.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105316501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).