pyrazin-2-yl(thiolan-3-yl)methanamine

C9H13N3S — CID 105150077

IUPACpyrazin-2-yl(thiolan-3-yl)methanamine
SMILESNC(c1cnccn1)C1CCSC1
InChIInChI=1S/C9H13N3S/c10-9(7-1-4-13-6-7)8-5-11-2-3-12-8/h2-3,5,7,9H,1,4,6,10H2
InChIKeyOOTIQTUOCJYPLQ-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.23
Rot. Bonds2

About pyrazin-2-yl(thiolan-3-yl)methanamine

pyrazin-2-yl(thiolan-3-yl)methanamine (PubChem CID 105150077) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is pyrazin-2-yl(thiolan-3-yl)methanamine.

Molecular Properties

Compound Namepyrazin-2-yl(thiolan-3-yl)methanamine
PubChem CID105150077
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Namepyrazin-2-yl(thiolan-3-yl)methanamine
SMILESNC(c1cnccn1)C1CCSC1
InChIInChI=1S/C9H13N3S/c10-9(7-1-4-13-6-7)8-5-11-2-3-12-8/h2-3,5,7,9H,1,4,6,10H2
InChIKeyOOTIQTUOCJYPLQ-UHFFFAOYSA-N
XLogP1.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl(thiolan-3-yl)methanamine?
The IUPAC name of pyrazin-2-yl(thiolan-3-yl)methanamine (CID 105150077) is pyrazin-2-yl(thiolan-3-yl)methanamine.
What is the SMILES notation for pyrazin-2-yl(thiolan-3-yl)methanamine?
The canonical SMILES for pyrazin-2-yl(thiolan-3-yl)methanamine is NC(c1cnccn1)C1CCSC1.
What is the InChIKey of pyrazin-2-yl(thiolan-3-yl)methanamine?
The InChIKey is OOTIQTUOCJYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-9(7-1-4-13-6-7)8-5-11-2-3-12-8/h2-3,5,7,9H,1,4,6,10H2.
What are the key properties of pyrazin-2-yl(thiolan-3-yl)methanamine?
pyrazin-2-yl(thiolan-3-yl)methanamine has a molecular weight of 195.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl(thiolan-3-yl)methanamine is sourced from PubChem (CID 105150077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).