4-pyrazin-2-ylsulfanylbutanehydrazide

C8H12N4OS — CID 63580949

IUPAC4-pyrazin-2-ylsulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1cnccn1
InChIInChI=1S/C8H12N4OS/c9-12-7(13)2-1-5-14-8-6-10-3-4-11-8/h3-4,6H,1-2,5,9H2,(H,12,13)
InChIKeyAEKPCNAQGATECD-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.34
Rot. Bonds5

About 4-pyrazin-2-ylsulfanylbutanehydrazide

4-pyrazin-2-ylsulfanylbutanehydrazide (PubChem CID 63580949) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 4-pyrazin-2-ylsulfanylbutanehydrazide.

Molecular Properties

Compound Name4-pyrazin-2-ylsulfanylbutanehydrazide
PubChem CID63580949
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name4-pyrazin-2-ylsulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1cnccn1
InChIInChI=1S/C8H12N4OS/c9-12-7(13)2-1-5-14-8-6-10-3-4-11-8/h3-4,6H,1-2,5,9H2,(H,12,13)
InChIKeyAEKPCNAQGATECD-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 4-pyrazin-2-ylsulfanylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63381175
N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63380792
4-pyrimidin-2-ylsulfanylbutanehydrazide
CID 63581554
4-(3-aminopyrazin-2-yl)sulfanylbutanehydrazide
CID 106679462
1-phenyl-4-pyrazin-2-ylsulfanylbutan-1-one
CID 63381429
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
CID 105352319
N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63380899
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
CID 55212515
5-pyrazin-2-ylsulfanylpentan-1-ol
CID 63380763
2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide
CID 63381623
2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide
CID 55247550
2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol
CID 64807370

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-ylsulfanylbutanehydrazide?
The IUPAC name of 4-pyrazin-2-ylsulfanylbutanehydrazide (CID 63580949) is 4-pyrazin-2-ylsulfanylbutanehydrazide.
What is the SMILES notation for 4-pyrazin-2-ylsulfanylbutanehydrazide?
The canonical SMILES for 4-pyrazin-2-ylsulfanylbutanehydrazide is NNC(=O)CCCSc1cnccn1.
What is the InChIKey of 4-pyrazin-2-ylsulfanylbutanehydrazide?
The InChIKey is AEKPCNAQGATECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-12-7(13)2-1-5-14-8-6-10-3-4-11-8/h3-4,6H,1-2,5,9H2,(H,12,13).
What are the key properties of 4-pyrazin-2-ylsulfanylbutanehydrazide?
4-pyrazin-2-ylsulfanylbutanehydrazide has a molecular weight of 212.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylsulfanylbutanehydrazide is sourced from PubChem (CID 63580949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).