6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine

C11H19N3S — CID 75418661

IUPAC6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine
SMILESCCSc1cncc(NCCC(C)C)n1
InChIInChI=1S/C11H19N3S/c1-4-15-11-8-12-7-10(14-11)13-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeySMNZJRMBMDULMF-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.05
Rot. Bonds6

About 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine

6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine (PubChem CID 75418661) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine
PubChem CID75418661
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine
SMILESCCSc1cncc(NCCC(C)C)n1
InChIInChI=1S/C11H19N3S/c1-4-15-11-8-12-7-10(14-11)13-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeySMNZJRMBMDULMF-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine?
The IUPAC name of 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine (CID 75418661) is 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine?
The canonical SMILES for 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine is CCSc1cncc(NCCC(C)C)n1.
What is the InChIKey of 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine?
The InChIKey is SMNZJRMBMDULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-15-11-8-12-7-10(14-11)13-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine?
6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine has a molecular weight of 225.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine is sourced from PubChem (CID 75418661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).