[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

C13H21N3OS — CID 105249552

IUPAC[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESCCc1ccc(CC(NN)C2CSCCO2)nc1
InChIInChI=1S/C13H21N3OS/c1-2-10-3-4-11(15-8-10)7-12(16-14)13-9-18-6-5-17-13/h3-4,8,12-13,16H,2,5-7,9,14H2,1H3
InChIKeyPNPUCSUEMHDTBP-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.15
Rot. Bonds5

About [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (PubChem CID 105249552) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
PubChem CID105249552
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESCCc1ccc(CC(NN)C2CSCCO2)nc1
InChIInChI=1S/C13H21N3OS/c1-2-10-3-4-11(15-8-10)7-12(16-14)13-9-18-6-5-17-13/h3-4,8,12-13,16H,2,5-7,9,14H2,1H3
InChIKeyPNPUCSUEMHDTBP-UHFFFAOYSA-N
XLogP1.15
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.15
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

[2-(5-ethyl-2-pyridinyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446379
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
[2-(5-ethyl-2-pyridinyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229310
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105324428
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105245021
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781
[1-(1,4-oxathian-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105249760
[2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233105
N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 115824336
1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748739
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105014570

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (CID 105249552) is [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is CCc1ccc(CC(NN)C2CSCCO2)nc1.
What is the InChIKey of [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The InChIKey is PNPUCSUEMHDTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-10-3-4-11(15-8-10)7-12(16-14)13-9-18-6-5-17-13/h3-4,8,12-13,16H,2,5-7,9,14H2,1H3.
What are the key properties of [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine has a molecular weight of 267.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).