tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate

C11H18N4O2S — CID 103062127

IUPACtert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate
SMILESCC(C)(C)OC(=O)CSCc1cnc(NN)cn1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)7-18-6-8-4-14-9(15-12)5-13-8/h4-5H,6-7,12H2,1-3H3,(H,14,15)
InChIKeySVCCVOKNAJKPLB-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.34
Rot. Bonds5

About tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate

tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate (PubChem CID 103062127) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate
PubChem CID103062127
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nametert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate
SMILESCC(C)(C)OC(=O)CSCc1cnc(NN)cn1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)7-18-6-8-4-14-9(15-12)5-13-8/h4-5H,6-7,12H2,1-3H3,(H,14,15)
InChIKeySVCCVOKNAJKPLB-UHFFFAOYSA-N
XLogP1.34
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate?
The IUPAC name of tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate (CID 103062127) is tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate.
What is the SMILES notation for tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate?
The canonical SMILES for tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate is CC(C)(C)OC(=O)CSCc1cnc(NN)cn1.
What is the InChIKey of tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate?
The InChIKey is SVCCVOKNAJKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)7-18-6-8-4-14-9(15-12)5-13-8/h4-5H,6-7,12H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate?
tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate has a molecular weight of 270.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate is sourced from PubChem (CID 103062127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).