1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide

C10H12N6S — CID 63750721

IUPAC1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1cnccn1
InChIInChI=1S/C10H12N6S/c1-6-8(9(11)12)10(16(2)15-6)17-7-5-13-3-4-14-7/h3-5H,1-2H3,(H3,11,12)
InChIKeyAPYUARAQWRVAKX-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.95
Rot. Bonds3

About 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide

1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide (PubChem CID 63750721) has the molecular formula C10H12N6S and a molecular weight of 248.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide
PubChem CID63750721
Molecular FormulaC10H12N6S
Molecular Weight248.32 g/mol
Exact Mass248.08
IUPAC Name1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Sc1cnccn1
InChIInChI=1S/C10H12N6S/c1-6-8(9(11)12)10(16(2)15-6)17-7-5-13-3-4-14-7/h3-5H,1-2H3,(H3,11,12)
InChIKeyAPYUARAQWRVAKX-UHFFFAOYSA-N
XLogP0.95
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.95
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 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide (CID 63750721) is 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1Sc1cnccn1.
What is the InChIKey of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide?
The InChIKey is APYUARAQWRVAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-6-8(9(11)12)10(16(2)15-6)17-7-5-13-3-4-14-7/h3-5H,1-2H3,(H3,11,12).
What are the key properties of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide?
1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide has a molecular weight of 248.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide is sourced from PubChem (CID 63750721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).