[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine

C11H12N4S — CID 63881313

IUPAC[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CSc2cnccn2)ccn1
InChIInChI=1S/C11H12N4S/c12-6-10-5-9(1-2-14-10)8-16-11-7-13-3-4-15-11/h1-5,7H,6,8,12H2
InChIKeyCJGALBXEMJIDFM-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.62
Rot. Bonds4

About [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine

[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine (PubChem CID 63881313) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine
PubChem CID63881313
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(CSc2cnccn2)ccn1
InChIInChI=1S/C11H12N4S/c12-6-10-5-9(1-2-14-10)8-16-11-7-13-3-4-15-11/h1-5,7H,6,8,12H2
InChIKeyCJGALBXEMJIDFM-UHFFFAOYSA-N
XLogP1.62
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine (CID 63881313) is [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine is NCc1cc(CSc2cnccn2)ccn1.
What is the InChIKey of [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine?
The InChIKey is CJGALBXEMJIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c12-6-10-5-9(1-2-14-10)8-16-11-7-13-3-4-15-11/h1-5,7H,6,8,12H2.
What are the key properties of [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine?
[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine has a molecular weight of 232.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 63881313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).