3-pentylsulfanylpyrazine-2-carboximidamide

C10H16N4S — CID 107750030

IUPAC3-pentylsulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1SCCCCC
InChIInChI=1S/C10H16N4S/c1-2-3-4-7-15-10-8(9(11)12)13-5-6-14-10/h5-6H,2-4,7H2,1H3,(H3,11,12)
InChIKeyGYMOPCATBOQPQD-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.04
Rot. Bonds6

About 3-pentylsulfanylpyrazine-2-carboximidamide

3-pentylsulfanylpyrazine-2-carboximidamide (PubChem CID 107750030) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-pentylsulfanylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-pentylsulfanylpyrazine-2-carboximidamide
PubChem CID107750030
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-pentylsulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1SCCCCC
InChIInChI=1S/C10H16N4S/c1-2-3-4-7-15-10-8(9(11)12)13-5-6-14-10/h5-6H,2-4,7H2,1H3,(H3,11,12)
InChIKeyGYMOPCATBOQPQD-UHFFFAOYSA-N
XLogP2.04
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylsulfanylpyrazine-2-carboximidamide?
The IUPAC name of 3-pentylsulfanylpyrazine-2-carboximidamide (CID 107750030) is 3-pentylsulfanylpyrazine-2-carboximidamide.
What is the SMILES notation for 3-pentylsulfanylpyrazine-2-carboximidamide?
The canonical SMILES for 3-pentylsulfanylpyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1SCCCCC.
What is the InChIKey of 3-pentylsulfanylpyrazine-2-carboximidamide?
The InChIKey is GYMOPCATBOQPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-3-4-7-15-10-8(9(11)12)13-5-6-14-10/h5-6H,2-4,7H2,1H3,(H3,11,12).
What are the key properties of 3-pentylsulfanylpyrazine-2-carboximidamide?
3-pentylsulfanylpyrazine-2-carboximidamide has a molecular weight of 224.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylsulfanylpyrazine-2-carboximidamide is sourced from PubChem (CID 107750030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).