[5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine

C8H9N5S — CID 107780969

IUPAC[5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(Sc2ncc[nH]2)cn1
InChIInChI=1S/C8H9N5S/c9-3-6-4-13-7(5-12-6)14-8-10-1-2-11-8/h1-2,4-5H,3,9H2,(H,10,11)
InChIKeyGFVFKJMMZKRGAZ-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.81
Rot. Bonds3

About [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine

[5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine (PubChem CID 107780969) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine
PubChem CID107780969
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name[5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(Sc2ncc[nH]2)cn1
InChIInChI=1S/C8H9N5S/c9-3-6-4-13-7(5-12-6)14-8-10-1-2-11-8/h1-2,4-5H,3,9H2,(H,10,11)
InChIKeyGFVFKJMMZKRGAZ-UHFFFAOYSA-N
XLogP0.81
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine (CID 107780969) is [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine is NCc1cnc(Sc2ncc[nH]2)cn1.
What is the InChIKey of [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine?
The InChIKey is GFVFKJMMZKRGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-3-6-4-13-7(5-12-6)14-8-10-1-2-11-8/h1-2,4-5H,3,9H2,(H,10,11).
What are the key properties of [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine?
[5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine has a molecular weight of 207.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107780969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).