2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide

C13H14N4O2S — CID 63582064

IUPAC2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide
SMILESNNC(=O)c1ccccc1OCCSc1cnccn1
InChIInChI=1S/C13H14N4O2S/c14-17-13(18)10-3-1-2-4-11(10)19-7-8-20-12-9-15-5-6-16-12/h1-6,9H,7-8,14H2,(H,17,18)
InChIKeyBBEPMVJDSWOONF-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.25
Rot. Bonds6

About 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide

2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide (PubChem CID 63582064) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide.

Molecular Properties

Compound Name2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide
PubChem CID63582064
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide
SMILESNNC(=O)c1ccccc1OCCSc1cnccn1
InChIInChI=1S/C13H14N4O2S/c14-17-13(18)10-3-1-2-4-11(10)19-7-8-20-12-9-15-5-6-16-12/h1-6,9H,7-8,14H2,(H,17,18)
InChIKeyBBEPMVJDSWOONF-UHFFFAOYSA-N
XLogP1.25
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide?
The IUPAC name of 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide (CID 63582064) is 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide.
What is the SMILES notation for 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide?
The canonical SMILES for 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide is NNC(=O)c1ccccc1OCCSc1cnccn1.
What is the InChIKey of 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide?
The InChIKey is BBEPMVJDSWOONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-17-13(18)10-3-1-2-4-11(10)19-7-8-20-12-9-15-5-6-16-12/h1-6,9H,7-8,14H2,(H,17,18).
What are the key properties of 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide?
2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide has a molecular weight of 290.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazin-2-ylsulfanylethoxy)benzohydrazide is sourced from PubChem (CID 63582064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).