5-benzylsulfanylpyrazin-2-amine

C11H11N3S — CID 15081812

IUPAC5-benzylsulfanylpyrazin-2-amine
SMILESNc1cnc(SCc2ccccc2)cn1
InChIInChI=1S/C11H11N3S/c12-10-6-14-11(7-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13)
InChIKeyQVNOPUDJWKFWMR-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.35
Rot. Bonds3

About 5-benzylsulfanylpyrazin-2-amine

5-benzylsulfanylpyrazin-2-amine (PubChem CID 15081812) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 5-benzylsulfanylpyrazin-2-amine.

Molecular Properties

Compound Name5-benzylsulfanylpyrazin-2-amine
PubChem CID15081812
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name5-benzylsulfanylpyrazin-2-amine
SMILESNc1cnc(SCc2ccccc2)cn1
InChIInChI=1S/C11H11N3S/c12-10-6-14-11(7-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13)
InChIKeyQVNOPUDJWKFWMR-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanylpyrazin-2-amine?
The IUPAC name of 5-benzylsulfanylpyrazin-2-amine (CID 15081812) is 5-benzylsulfanylpyrazin-2-amine.
What is the SMILES notation for 5-benzylsulfanylpyrazin-2-amine?
The canonical SMILES for 5-benzylsulfanylpyrazin-2-amine is Nc1cnc(SCc2ccccc2)cn1.
What is the InChIKey of 5-benzylsulfanylpyrazin-2-amine?
The InChIKey is QVNOPUDJWKFWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c12-10-6-14-11(7-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13).
What are the key properties of 5-benzylsulfanylpyrazin-2-amine?
5-benzylsulfanylpyrazin-2-amine has a molecular weight of 217.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanylpyrazin-2-amine is sourced from PubChem (CID 15081812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).