3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine

C12H15N7S — CID 135398218

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3ncc(SC(C)C)n3n2)n1
InChIInChI=1S/C12H15N7S/c1-7(2)20-10-6-13-11-14-15-12(17-19(10)11)18-9(4)5-8(3)16-18/h5-7H,1-4H3
InChIKeyFDDITSWICPOSQZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.82
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine

3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine (PubChem CID 135398218) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine
PubChem CID135398218
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3ncc(SC(C)C)n3n2)n1
InChIInChI=1S/C12H15N7S/c1-7(2)20-10-6-13-11-14-15-12(17-19(10)11)18-9(4)5-8(3)16-18/h5-7H,1-4H3
InChIKeyFDDITSWICPOSQZ-UHFFFAOYSA-N
XLogP1.82
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine (CID 135398218) is 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine is Cc1cc(C)n(-c2nnc3ncc(SC(C)C)n3n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
The InChIKey is FDDITSWICPOSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-7(2)20-10-6-13-11-14-15-12(17-19(10)11)18-9(4)5-8(3)16-18/h5-7H,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine has a molecular weight of 289.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-propan-2-ylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine is sourced from PubChem (CID 135398218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).