3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide

C9H10N6S — CID 62685079

IUPAC3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1nccn1C
InChIInChI=1S/C9H10N6S/c1-15-5-4-14-9(15)16-8-6(7(10)11)12-2-3-13-8/h2-5H,1H3,(H3,10,11)
InChIKeyXZXLQLRJZJCNAY-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.65
Rot. Bonds3

About 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide

3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide (PubChem CID 62685079) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide
PubChem CID62685079
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1nccn1C
InChIInChI=1S/C9H10N6S/c1-15-5-4-14-9(15)16-8-6(7(10)11)12-2-3-13-8/h2-5H,1H3,(H3,10,11)
InChIKeyXZXLQLRJZJCNAY-UHFFFAOYSA-N
XLogP0.65
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide?
The IUPAC name of 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide (CID 62685079) is 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide?
The canonical SMILES for 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Sc1nccn1C.
What is the InChIKey of 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide?
The InChIKey is XZXLQLRJZJCNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c1-15-5-4-14-9(15)16-8-6(7(10)11)12-2-3-13-8/h2-5H,1H3,(H3,10,11).
What are the key properties of 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide?
3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide has a molecular weight of 234.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)sulfanylpyrazine-2-carboximidamide is sourced from PubChem (CID 62685079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).