3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide

C11H9ClN4S — CID 55102696

IUPAC3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1cccc(Cl)c1
InChIInChI=1S/C11H9ClN4S/c12-7-2-1-3-8(6-7)17-11-9(10(13)14)15-4-5-16-11/h1-6H,(H3,13,14)
InChIKeyHGMAKFMYSNJHAC-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.57
Rot. Bonds3

About 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide

3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide (PubChem CID 55102696) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide
PubChem CID55102696
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1cccc(Cl)c1
InChIInChI=1S/C11H9ClN4S/c12-7-2-1-3-8(6-7)17-11-9(10(13)14)15-4-5-16-11/h1-6H,(H3,13,14)
InChIKeyHGMAKFMYSNJHAC-UHFFFAOYSA-N
XLogP2.57
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-Chlorophenyl)sulfanyl]-3-pyridinylamine
CID 901296
3-[(4-Chlorophenyl)sulfanyl]-2-pyrazinecarbonitrile
CID 2821439
[(Z)-[amino-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]methylidene]amino] acetate
CID 9584381
3-(2-Fluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103276
3-(4-Fluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103323
3-(3,4-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103372
3-(2,4-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55103419
3-(2,5-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 62683222
5-(3,4-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 64272231
5-(2,4-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 64272437
5-(2,5-Difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 64272648
5-(2-Fluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 64273258

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide?
The IUPAC name of 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide (CID 55102696) is 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Sc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide?
The InChIKey is HGMAKFMYSNJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-7-2-1-3-8(6-7)17-11-9(10(13)14)15-4-5-16-11/h1-6H,(H3,13,14).
What are the key properties of 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide?
3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide has a molecular weight of 264.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide is sourced from PubChem (CID 55102696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).