N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine

C8H13N3S — CID 126995452

IUPACN-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine
SMILESCCN(C)c1cncc(SC)n1
InChIInChI=1S/C8H13N3S/c1-4-11(2)7-5-9-6-8(10-7)12-3/h5-6H,4H2,1-3H3
InChIKeyWWZSLNFTGQBKOZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.65
Rot. Bonds3

About N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine

N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine (PubChem CID 126995452) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine
PubChem CID126995452
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine
SMILESCCN(C)c1cncc(SC)n1
InChIInChI=1S/C8H13N3S/c1-4-11(2)7-5-9-6-8(10-7)12-3/h5-6H,4H2,1-3H3
InChIKeyWWZSLNFTGQBKOZ-UHFFFAOYSA-N
XLogP1.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine?
The IUPAC name of N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine (CID 126995452) is N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine.
What is the SMILES notation for N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine?
The canonical SMILES for N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine is CCN(C)c1cncc(SC)n1.
What is the InChIKey of N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine?
The InChIKey is WWZSLNFTGQBKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-4-11(2)7-5-9-6-8(10-7)12-3/h5-6H,4H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine?
N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-methylsulfanylpyrazin-2-amine is sourced from PubChem (CID 126995452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).