2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride

C7H12ClN3S — CID 20557804

IUPAC2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSCc1cnccn1
InChIInChI=1S/C7H11N3S.ClH/c8-1-4-11-6-7-5-9-2-3-10-7;/h2-3,5H,1,4,6,8H2;1H
InChIKeyKLODDVUYUZTJIY-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.09
Rot. Bonds4

About 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride

2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride (PubChem CID 20557804) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride
PubChem CID20557804
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSCc1cnccn1
InChIInChI=1S/C7H11N3S.ClH/c8-1-4-11-6-7-5-9-2-3-10-7;/h2-3,5H,1,4,6,8H2;1H
InChIKeyKLODDVUYUZTJIY-UHFFFAOYSA-N
XLogP1.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride?
The IUPAC name of 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride (CID 20557804) is 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride is Cl.NCCSCc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride?
The InChIKey is KLODDVUYUZTJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.ClH/c8-1-4-11-6-7-5-9-2-3-10-7;/h2-3,5H,1,4,6,8H2;1H.
What are the key properties of 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride?
2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethylsulfanyl)ethanamine;hydrochloride is sourced from PubChem (CID 20557804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).