3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide

C11H11N5S — CID 55249868

IUPAC3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CSc1cnccn1
InChIInChI=1S/C11H11N5S/c12-11(13)10-8(2-1-3-16-10)7-17-9-6-14-4-5-15-9/h1-6H,7H2,(H3,12,13)
InChIKeyHAYNZRODHKOWEM-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.45
Rot. Bonds4

About 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide

3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide (PubChem CID 55249868) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
PubChem CID55249868
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CSc1cnccn1
InChIInChI=1S/C11H11N5S/c12-11(13)10-8(2-1-3-16-10)7-17-9-6-14-4-5-15-9/h1-6H,7H2,(H3,12,13)
InChIKeyHAYNZRODHKOWEM-UHFFFAOYSA-N
XLogP1.45
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.45
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-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The IUPAC name of 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide (CID 55249868) is 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CSc1cnccn1.
What is the InChIKey of 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The InChIKey is HAYNZRODHKOWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c12-11(13)10-8(2-1-3-16-10)7-17-9-6-14-4-5-15-9/h1-6H,7H2,(H3,12,13).
What are the key properties of 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide has a molecular weight of 245.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 55249868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).