2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol

C12H13N3OS — CID 103060050

IUPAC2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol
SMILESCNc1cnc(CSc2ccccc2O)cn1
InChIInChI=1S/C12H13N3OS/c1-13-12-7-14-9(6-15-12)8-17-11-5-3-2-4-10(11)16/h2-7,16H,8H2,1H3,(H,13,15)
InChIKeyIDKDKYUUNMZZII-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.52
Rot. Bonds4

About 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol

2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol (PubChem CID 103060050) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol
PubChem CID103060050
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol
SMILESCNc1cnc(CSc2ccccc2O)cn1
InChIInChI=1S/C12H13N3OS/c1-13-12-7-14-9(6-15-12)8-17-11-5-3-2-4-10(11)16/h2-7,16H,8H2,1H3,(H,13,15)
InChIKeyIDKDKYUUNMZZII-UHFFFAOYSA-N
XLogP2.52
TPSA58.04 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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(methylamino)pyrazin-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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The IUPAC name of 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol (CID 103060050) is 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol is CNc1cnc(CSc2ccccc2O)cn1.
What is the InChIKey of 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The InChIKey is IDKDKYUUNMZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-13-12-7-14-9(6-15-12)8-17-11-5-3-2-4-10(11)16/h2-7,16H,8H2,1H3,(H,13,15).
What are the key properties of 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol?
2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol has a molecular weight of 247.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 103060050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).