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

C13H14N4OS — CID 105352319

IUPAC2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2cnccn2)cc1
InChIInChI=1S/C13H14N4OS/c14-17-12(18)7-10-1-3-11(4-2-10)9-19-13-8-15-5-6-16-13/h1-6,8H,7,9,14H2,(H,17,18)
InChIKeyDVZLTJUBUCXKOR-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.30
Rot. Bonds5

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

2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide (PubChem CID 105352319) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
PubChem CID105352319
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2cnccn2)cc1
InChIInChI=1S/C13H14N4OS/c14-17-12(18)7-10-1-3-11(4-2-10)9-19-13-8-15-5-6-16-13/h1-6,8H,7,9,14H2,(H,17,18)
InChIKeyDVZLTJUBUCXKOR-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.30
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]propanehydrazide
CID 105352320
4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352452
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881313
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63381907
4-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63883004
2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352430
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide (CID 105352319) is 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccc(CSc2cnccn2)cc1.
What is the InChIKey of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide?
The InChIKey is DVZLTJUBUCXKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-17-12(18)7-10-1-3-11(4-2-10)9-19-13-8-15-5-6-16-13/h1-6,8H,7,9,14H2,(H,17,18).
What are the key properties of 2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide?
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide has a molecular weight of 274.35 g/mol, XLogP of 1.30, 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]acetohydrazide is sourced from PubChem (CID 105352319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).