3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide

C9H15N5S — CID 112660138

IUPAC3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)CCSC
InChIInChI=1S/C9H15N5S/c1-14(5-6-15-2)9-7(8(10)11)12-3-4-13-9/h3-4H,5-6H2,1-2H3,(H3,10,11)
InChIKeyYPVYDXYIBCXGAD-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.56
Rot. Bonds5

About 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide

3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide (PubChem CID 112660138) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
PubChem CID112660138
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)CCSC
InChIInChI=1S/C9H15N5S/c1-14(5-6-15-2)9-7(8(10)11)12-3-4-13-9/h3-4H,5-6H2,1-2H3,(H3,10,11)
InChIKeyYPVYDXYIBCXGAD-UHFFFAOYSA-N
XLogP0.56
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide (CID 112660138) is 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(C)CCSC.
What is the InChIKey of 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
The InChIKey is YPVYDXYIBCXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-14(5-6-15-2)9-7(8(10)11)12-3-4-13-9/h3-4H,5-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide?
3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide has a molecular weight of 225.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 112660138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).