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

C15H13N7S — CID 142762090

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3ncc(Sc4ccccc4)n3n2)n1
InChIInChI=1S/C15H13N7S/c1-10-8-11(2)21(19-10)15-18-17-14-16-9-13(22(14)20-15)23-12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXHQHCBNSEZKXEE-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.47
Rot. Bonds3

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

3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine (PubChem CID 142762090) has the molecular formula C15H13N7S and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine
PubChem CID142762090
Molecular FormulaC15H13N7S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3ncc(Sc4ccccc4)n3n2)n1
InChIInChI=1S/C15H13N7S/c1-10-8-11(2)21(19-10)15-18-17-14-16-9-13(22(14)20-15)23-12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXHQHCBNSEZKXEE-UHFFFAOYSA-N
XLogP2.47
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine (CID 142762090) is 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine is Cc1cc(C)n(-c2nnc3ncc(Sc4ccccc4)n3n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
The InChIKey is XHQHCBNSEZKXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7S/c1-10-8-11(2)21(19-10)15-18-17-14-16-9-13(22(14)20-15)23-12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine?
3-(3,5-dimethylpyrazol-1-yl)-6-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine has a molecular weight of 323.39 g/mol, XLogP of 2.47, 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-phenylsulfanylimidazo[1,2-b][1,2,4,5]tetrazine is sourced from PubChem (CID 142762090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).