3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol

C11H11N3OS — CID 103060385

IUPAC3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
SMILESNc1cnc(CSc2cccc(O)c2)cn1
InChIInChI=1S/C11H11N3OS/c12-11-6-13-8(5-14-11)7-16-10-3-1-2-9(15)4-10/h1-6,15H,7H2,(H2,12,14)
InChIKeyOKYZQNLTMYLBQO-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.06
Rot. Bonds3

About 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol

3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol (PubChem CID 103060385) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
PubChem CID103060385
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
SMILESNc1cnc(CSc2cccc(O)c2)cn1
InChIInChI=1S/C11H11N3OS/c12-11-6-13-8(5-14-11)7-16-10-3-1-2-9(15)4-10/h1-6,15H,7H2,(H2,12,14)
InChIKeyOKYZQNLTMYLBQO-UHFFFAOYSA-N
XLogP2.06
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol (CID 103060385) is 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol is Nc1cnc(CSc2cccc(O)c2)cn1.
What is the InChIKey of 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
The InChIKey is OKYZQNLTMYLBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-11-6-13-8(5-14-11)7-16-10-3-1-2-9(15)4-10/h1-6,15H,7H2,(H2,12,14).
What are the key properties of 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol?
3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol has a molecular weight of 233.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 103060385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).