3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate

C10H8N5O2S- — CID 71197166

IUPAC3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate
SMILESCn1cc(-c2cnc3c(S(=O)[O-])nccn23)cn1
InChIInChI=1S/C10H9N5O2S/c1-14-6-7(4-13-14)8-5-12-9-10(18(16)17)11-2-3-15(8)9/h2-6H,1H3,(H,16,17)/p-1
InChIKeyCFICTQHHBDJLGZ-UHFFFAOYSA-M
MW262.27 g/mol
LogP0.37
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate

3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate (PubChem CID 71197166) has the molecular formula C10H8N5O2S- and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate
PubChem CID71197166
Molecular FormulaC10H8N5O2S-
Molecular Weight262.27 g/mol
Exact Mass262.04
IUPAC Name3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate
SMILESCn1cc(-c2cnc3c(S(=O)[O-])nccn23)cn1
InChIInChI=1S/C10H9N5O2S/c1-14-6-7(4-13-14)8-5-12-9-10(18(16)17)11-2-3-15(8)9/h2-6H,1H3,(H,16,17)/p-1
InChIKeyCFICTQHHBDJLGZ-UHFFFAOYSA-M
XLogP0.37
TPSA88.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate?
The IUPAC name of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate (CID 71197166) is 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate is Cn1cc(-c2cnc3c(S(=O)[O-])nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate?
The InChIKey is CFICTQHHBDJLGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9N5O2S/c1-14-6-7(4-13-14)8-5-12-9-10(18(16)17)11-2-3-15(8)9/h2-6H,1H3,(H,16,17)/p-1.
What are the key properties of 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate?
3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate has a molecular weight of 262.27 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-8-sulfinate is sourced from PubChem (CID 71197166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).