3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol

C7H11N3O2S — CID 80646805

IUPAC3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol
SMILESNc1cncc(SCC(O)CO)n1
InChIInChI=1S/C7H11N3O2S/c8-6-1-9-2-7(10-6)13-4-5(12)3-11/h1-2,5,11-12H,3-4H2,(H2,8,10)
InChIKeyCANHKPBWNVVKRW-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.50
Rot. Bonds4

About 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol

3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol (PubChem CID 80646805) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol
PubChem CID80646805
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol
SMILESNc1cncc(SCC(O)CO)n1
InChIInChI=1S/C7H11N3O2S/c8-6-1-9-2-7(10-6)13-4-5(12)3-11/h1-2,5,11-12H,3-4H2,(H2,8,10)
InChIKeyCANHKPBWNVVKRW-UHFFFAOYSA-N
XLogP-0.50
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol (CID 80646805) is 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol is Nc1cncc(SCC(O)CO)n1.
What is the InChIKey of 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol?
The InChIKey is CANHKPBWNVVKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-6-1-9-2-7(10-6)13-4-5(12)3-11/h1-2,5,11-12H,3-4H2,(H2,8,10).
What are the key properties of 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol?
3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol has a molecular weight of 201.25 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyrazin-2-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 80646805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).