1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol

C12H13N3OS — CID 55247740

IUPAC1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol
SMILESNc1ccc(C(O)CSc2cnccn2)cc1
InChIInChI=1S/C12H13N3OS/c13-10-3-1-9(2-4-10)11(16)8-17-12-7-14-5-6-15-12/h1-7,11,16H,8,13H2
InChIKeyJBONVMMBDPBHPE-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol

1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol (PubChem CID 55247740) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol
PubChem CID55247740
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol
SMILESNc1ccc(C(O)CSc2cnccn2)cc1
InChIInChI=1S/C12H13N3OS/c13-10-3-1-9(2-4-10)11(16)8-17-12-7-14-5-6-15-12/h1-7,11,16H,8,13H2
InChIKeyJBONVMMBDPBHPE-UHFFFAOYSA-N
XLogP1.88
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol 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

2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
ethyl 2-methyl-3-pyrazin-2-ylsulfanylpropanoate
CID 63381166
N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64627425
1-(3-aminophenyl)-2-pyridin-2-ylsulfanylethanol
CID 62269524
N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63381175
1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413
2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylpyrazine
CID 65015924
methyl 2-phenyl-3-pyrazin-2-ylsulfanylpropanoate
CID 64566022
1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 62264389
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol
CID 106678826
1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
CID 64625820

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol?
The IUPAC name of 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol (CID 55247740) is 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol is Nc1ccc(C(O)CSc2cnccn2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol?
The InChIKey is JBONVMMBDPBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-10-3-1-9(2-4-10)11(16)8-17-12-7-14-5-6-15-12/h1-7,11,16H,8,13H2.
What are the key properties of 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol?
1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol has a molecular weight of 247.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol is sourced from PubChem (CID 55247740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).