3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide

C11H12N6S — CID 80511478

IUPAC3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1N1CCn2ccnc2C1
InChIInChI=1S/C11H12N6S/c12-10(18)8-1-2-14-15-11(8)17-6-5-16-4-3-13-9(16)7-17/h1-4H,5-7H2,(H2,12,18)
InChIKeyMESHATAVAVBJDR-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.33
Rot. Bonds2

About 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide (PubChem CID 80511478) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide
PubChem CID80511478
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1N1CCn2ccnc2C1
InChIInChI=1S/C11H12N6S/c12-10(18)8-1-2-14-15-11(8)17-6-5-16-4-3-13-9(16)7-17/h1-4H,5-7H2,(H2,12,18)
InChIKeyMESHATAVAVBJDR-UHFFFAOYSA-N
XLogP0.33
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide (CID 80511478) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide is NC(=S)c1ccnnc1N1CCn2ccnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide?
The InChIKey is MESHATAVAVBJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c12-10(18)8-1-2-14-15-11(8)17-6-5-16-4-3-13-9(16)7-17/h1-4H,5-7H2,(H2,12,18).
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide?
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide has a molecular weight of 260.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide is sourced from PubChem (CID 80511478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).