2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine

C10H15N3OS — CID 151763093

IUPAC2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine
SMILESCOC1CN(Cc2nccnc2SC)C1
InChIInChI=1S/C10H15N3OS/c1-14-8-5-13(6-8)7-9-10(15-2)12-4-3-11-9/h3-4,8H,5-7H2,1-2H3
InChIKeyRQZCVAGILVQFAT-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.03
Rot. Bonds4

About 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine

2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine (PubChem CID 151763093) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine
PubChem CID151763093
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine
SMILESCOC1CN(Cc2nccnc2SC)C1
InChIInChI=1S/C10H15N3OS/c1-14-8-5-13(6-8)7-9-10(15-2)12-4-3-11-9/h3-4,8H,5-7H2,1-2H3
InChIKeyRQZCVAGILVQFAT-UHFFFAOYSA-N
XLogP1.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine 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-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine?
The IUPAC name of 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine (CID 151763093) is 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine.
What is the SMILES notation for 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine?
The canonical SMILES for 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine is COC1CN(Cc2nccnc2SC)C1.
What is the InChIKey of 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine?
The InChIKey is RQZCVAGILVQFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-8-5-13(6-8)7-9-10(15-2)12-4-3-11-9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine?
2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine has a molecular weight of 225.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyazetidin-1-yl)methyl]-3-methylsulfanylpyrazine is sourced from PubChem (CID 151763093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).