4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol

C11H11N3OS — CID 103059998

IUPAC4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
SMILESNc1cnc(CSc2ccc(O)cc2)cn1
InChIInChI=1S/C11H11N3OS/c12-11-6-13-8(5-14-11)7-16-10-3-1-9(15)2-4-10/h1-6,15H,7H2,(H2,12,14)
InChIKeyMMUYNHBVGAVYHE-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.06
Rot. Bonds3

About 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol

4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol (PubChem CID 103059998) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
PubChem CID103059998
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
SMILESNc1cnc(CSc2ccc(O)cc2)cn1
InChIInChI=1S/C11H11N3OS/c12-11-6-13-8(5-14-11)7-16-10-3-1-9(15)2-4-10/h1-6,15H,7H2,(H2,12,14)
InChIKeyMMUYNHBVGAVYHE-UHFFFAOYSA-N
XLogP2.06
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol 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

6-[3-(4-Hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 57335045
6-[(4-Methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine
CID 90743876
4-(Pyrazin-2-ylmethyltrisulfanyl)phenol
CID 134318686
4-[(E)-2-(5-amino-6-phenylsulfanylpyrazin-2-yl)ethenyl]phenol
CID 176155965
4-(Pyrazin-2-ylmethylsulfanyl)phenol
CID 61031854
2-(Pyrazin-2-ylmethylsulfanyl)phenol
CID 62001277
4-[(2-Amino-4-pyridinyl)methylsulfanyl]phenol
CID 62468210
4-(3,6-Dimethylpyrazin-2-yl)sulfanylphenol
CID 65417991
4-[(3-Methylimidazol-4-yl)methylsulfanyl]phenol
CID 66141564
4-[(3-Propylimidazol-4-yl)methylsulfanyl]phenol
CID 66153229
4-[(3-Propan-2-ylimidazol-4-yl)methylsulfanyl]phenol
CID 66154617
4-[(3-Ethylimidazol-4-yl)methylsulfanyl]phenol
CID 66154929

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
The IUPAC name of 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol (CID 103059998) is 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol is Nc1cnc(CSc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
The InChIKey is MMUYNHBVGAVYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-11-6-13-8(5-14-11)7-16-10-3-1-9(15)2-4-10/h1-6,15H,7H2,(H2,12,14).
What are the key properties of 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol has a molecular weight of 233.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 103059998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).