3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol

C10H16N2OS — CID 75422764

IUPAC3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol
SMILESCc1cnc(CSC(C)CCO)cn1
InChIInChI=1S/C10H16N2OS/c1-8-5-12-10(6-11-8)7-14-9(2)3-4-13/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyXMDCZNBRQXXQRZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.79
Rot. Bonds5

About 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol

3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol (PubChem CID 75422764) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol
PubChem CID75422764
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol
SMILESCc1cnc(CSC(C)CCO)cn1
InChIInChI=1S/C10H16N2OS/c1-8-5-12-10(6-11-8)7-14-9(2)3-4-13/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyXMDCZNBRQXXQRZ-UHFFFAOYSA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol 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 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol (CID 75422764) is 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol is Cc1cnc(CSC(C)CCO)cn1.
What is the InChIKey of 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol?
The InChIKey is XMDCZNBRQXXQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-5-12-10(6-11-8)7-14-9(2)3-4-13/h5-6,9,13H,3-4,7H2,1-2H3.
What are the key properties of 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol?
3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol is sourced from PubChem (CID 75422764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).