3,4-diphenylthieno[2,3-c]pyridazin-5-ol

C18H12N2OS — CID 6401461

IUPAC3,4-diphenylthieno[2,3-c]pyridazin-5-ol
SMILESOc1csc2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C18H12N2OS/c21-14-11-22-18-16(14)15(12-7-3-1-4-8-12)17(19-20-18)13-9-5-2-6-10-13/h1-11,21H
InChIKeyNXVOPFJBDOQYFF-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.73
Rot. Bonds2

About 3,4-diphenylthieno[2,3-c]pyridazin-5-ol

3,4-diphenylthieno[2,3-c]pyridazin-5-ol (PubChem CID 6401461) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 3,4-diphenylthieno[2,3-c]pyridazin-5-ol.

Molecular Properties

Compound Name3,4-diphenylthieno[2,3-c]pyridazin-5-ol
PubChem CID6401461
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name3,4-diphenylthieno[2,3-c]pyridazin-5-ol
SMILESOc1csc2nnc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C18H12N2OS/c21-14-11-22-18-16(14)15(12-7-3-1-4-8-12)17(19-20-18)13-9-5-2-6-10-13/h1-11,21H
InChIKeyNXVOPFJBDOQYFF-UHFFFAOYSA-N
XLogP4.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenylthieno[2,3-c]pyridazin-5-ol?
The IUPAC name of 3,4-diphenylthieno[2,3-c]pyridazin-5-ol (CID 6401461) is 3,4-diphenylthieno[2,3-c]pyridazin-5-ol.
What is the SMILES notation for 3,4-diphenylthieno[2,3-c]pyridazin-5-ol?
The canonical SMILES for 3,4-diphenylthieno[2,3-c]pyridazin-5-ol is Oc1csc2nnc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 3,4-diphenylthieno[2,3-c]pyridazin-5-ol?
The InChIKey is NXVOPFJBDOQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-14-11-22-18-16(14)15(12-7-3-1-4-8-12)17(19-20-18)13-9-5-2-6-10-13/h1-11,21H.
What are the key properties of 3,4-diphenylthieno[2,3-c]pyridazin-5-ol?
3,4-diphenylthieno[2,3-c]pyridazin-5-ol has a molecular weight of 304.37 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenylthieno[2,3-c]pyridazin-5-ol is sourced from PubChem (CID 6401461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).