2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide

C14H16N4OS — CID 105352320

IUPAC2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CSc2cnccn2)cc1
InChIInChI=1S/C14H16N4OS/c1-10(14(19)18-15)12-4-2-11(3-5-12)9-20-13-8-16-6-7-17-13/h2-8,10H,9,15H2,1H3,(H,18,19)
InChIKeyMGMYDYCCQBROFF-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide

2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide (PubChem CID 105352320) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
PubChem CID105352320
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CSc2cnccn2)cc1
InChIInChI=1S/C14H16N4OS/c1-10(14(19)18-15)12-4-2-11(3-5-12)9-20-13-8-16-6-7-17-13/h2-8,10H,9,15H2,1H3,(H,18,19)
InChIKeyMGMYDYCCQBROFF-UHFFFAOYSA-N
XLogP1.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
CID 105352319
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352433
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352546
2-pyridin-3-ylpropanehydrazide
CID 116843938
2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide
CID 107760947
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
2-[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]propanehydrazide
CID 105351499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide (CID 105352320) is 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CSc2cnccn2)cc1.
What is the InChIKey of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide?
The InChIKey is MGMYDYCCQBROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10(14(19)18-15)12-4-2-11(3-5-12)9-20-13-8-16-6-7-17-13/h2-8,10H,9,15H2,1H3,(H,18,19).
What are the key properties of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide?
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide has a molecular weight of 288.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide is sourced from PubChem (CID 105352320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).