N-ethyl-6-ethylsulfanylpyrazin-2-amine

C8H13N3S — CID 78953555

IUPACN-ethyl-6-ethylsulfanylpyrazin-2-amine
SMILESCCNc1cncc(SCC)n1
InChIInChI=1S/C8H13N3S/c1-3-10-7-5-9-6-8(11-7)12-4-2/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyCBLJVUVFHJPKDD-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-6-ethylsulfanylpyrazin-2-amine

N-ethyl-6-ethylsulfanylpyrazin-2-amine (PubChem CID 78953555) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-ethyl-6-ethylsulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-ethylsulfanylpyrazin-2-amine
PubChem CID78953555
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-ethyl-6-ethylsulfanylpyrazin-2-amine
SMILESCCNc1cncc(SCC)n1
InChIInChI=1S/C8H13N3S/c1-3-10-7-5-9-6-8(11-7)12-4-2/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyCBLJVUVFHJPKDD-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-ethylsulfanylpyrazin-2-amine?
The IUPAC name of N-ethyl-6-ethylsulfanylpyrazin-2-amine (CID 78953555) is N-ethyl-6-ethylsulfanylpyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-ethylsulfanylpyrazin-2-amine?
The canonical SMILES for N-ethyl-6-ethylsulfanylpyrazin-2-amine is CCNc1cncc(SCC)n1.
What is the InChIKey of N-ethyl-6-ethylsulfanylpyrazin-2-amine?
The InChIKey is CBLJVUVFHJPKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-10-7-5-9-6-8(11-7)12-4-2/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-6-ethylsulfanylpyrazin-2-amine?
N-ethyl-6-ethylsulfanylpyrazin-2-amine has a molecular weight of 183.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-ethylsulfanylpyrazin-2-amine is sourced from PubChem (CID 78953555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).