2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine

C9H12BrN3S — CID 130979036

IUPAC2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine
SMILESCSC1CCN(c2cnc(Br)cn2)C1
InChIInChI=1S/C9H12BrN3S/c1-14-7-2-3-13(6-7)9-5-11-8(10)4-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyLQODIURUVYGLEP-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.18
Rot. Bonds2

About 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine

2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine (PubChem CID 130979036) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine
PubChem CID130979036
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine
SMILESCSC1CCN(c2cnc(Br)cn2)C1
InChIInChI=1S/C9H12BrN3S/c1-14-7-2-3-13(6-7)9-5-11-8(10)4-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyLQODIURUVYGLEP-UHFFFAOYSA-N
XLogP2.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine 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-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine?
The IUPAC name of 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine (CID 130979036) is 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine.
What is the SMILES notation for 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine?
The canonical SMILES for 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine is CSC1CCN(c2cnc(Br)cn2)C1.
What is the InChIKey of 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine?
The InChIKey is LQODIURUVYGLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c1-14-7-2-3-13(6-7)9-5-11-8(10)4-12-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine?
2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine has a molecular weight of 274.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine is sourced from PubChem (CID 130979036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).