6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine

C7H10ClN3S — CID 63959265

IUPAC6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine
SMILESCSCCNc1cncc(Cl)n1
InChIInChI=1S/C7H10ClN3S/c1-12-3-2-10-7-5-9-4-6(8)11-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyAVZLECUKIMHXGB-UHFFFAOYSA-N
MW203.70 g/mol
LogP1.90
Rot. Bonds4

About 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine

6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine (PubChem CID 63959265) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine
PubChem CID63959265
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine
SMILESCSCCNc1cncc(Cl)n1
InChIInChI=1S/C7H10ClN3S/c1-12-3-2-10-7-5-9-4-6(8)11-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyAVZLECUKIMHXGB-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 51.90
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 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine (CID 63959265) is 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine is CSCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine?
The InChIKey is AVZLECUKIMHXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c1-12-3-2-10-7-5-9-4-6(8)11-7/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine?
6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine has a molecular weight of 203.70 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylsulfanylethyl)pyrazin-2-amine is sourced from PubChem (CID 63959265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).