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

C12H16N6S — CID 63757247

IUPAC5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCn3ccnc3C2)c1C(N)=S
InChIInChI=1S/C12H16N6S/c1-8-10(11(13)19)12(16(2)15-8)18-6-5-17-4-3-14-9(17)7-18/h3-4H,5-7H2,1-2H3,(H2,13,19)
InChIKeyYGQOVAPZTRGMKV-UHFFFAOYSA-N
MW276.37 g/mol
LogP0.58
Rot. Bonds2

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

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide (PubChem CID 63757247) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide
PubChem CID63757247
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCn3ccnc3C2)c1C(N)=S
InChIInChI=1S/C12H16N6S/c1-8-10(11(13)19)12(16(2)15-8)18-6-5-17-4-3-14-9(17)7-18/h3-4H,5-7H2,1-2H3,(H2,13,19)
InChIKeyYGQOVAPZTRGMKV-UHFFFAOYSA-N
XLogP0.58
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.58
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 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide (CID 63757247) is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide.
What is the SMILES notation for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The canonical SMILES for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide is Cc1nn(C)c(N2CCn3ccnc3C2)c1C(N)=S.
What is the InChIKey of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The InChIKey is YGQOVAPZTRGMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-8-10(11(13)19)12(16(2)15-8)18-6-5-17-4-3-14-9(17)7-18/h3-4H,5-7H2,1-2H3,(H2,13,19).
What are the key properties of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide?
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide has a molecular weight of 276.37 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carbothioamide is sourced from PubChem (CID 63757247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).