4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine

C16H10N4S — CID 780413

IUPAC4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine
SMILESc1ccc(-c2nnc(-c3ccccc3)c3nsnc23)cc1
InChIInChI=1S/C16H10N4S/c1-3-7-11(8-4-1)13-15-16(20-21-19-15)14(18-17-13)12-9-5-2-6-10-12/h1-10H
InChIKeyIMYCEEBOOINTSO-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.82
Rot. Bonds2

About 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine

4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine (PubChem CID 780413) has the molecular formula C16H10N4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine
PubChem CID780413
Molecular FormulaC16H10N4S
Molecular Weight290.35 g/mol
Exact Mass290.06
IUPAC Name4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine
SMILESc1ccc(-c2nnc(-c3ccccc3)c3nsnc23)cc1
InChIInChI=1S/C16H10N4S/c1-3-7-11(8-4-1)13-15-16(20-21-19-15)14(18-17-13)12-9-5-2-6-10-12/h1-10H
InChIKeyIMYCEEBOOINTSO-UHFFFAOYSA-N
XLogP3.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine?
The IUPAC name of 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine (CID 780413) is 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine.
What is the SMILES notation for 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine?
The canonical SMILES for 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine is c1ccc(-c2nnc(-c3ccccc3)c3nsnc23)cc1.
What is the InChIKey of 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine?
The InChIKey is IMYCEEBOOINTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S/c1-3-7-11(8-4-1)13-15-16(20-21-19-15)14(18-17-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine?
4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine has a molecular weight of 290.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-[1,2,5]thiadiazolo[3,4-d]pyridazine is sourced from PubChem (CID 780413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).