thieno[2,3-d]pyridazine

C6H4N2S — CID 12603003

IUPACthieno[2,3-d]pyridazine
SMILESc1cc2cnncc2s1
InChIInChI=1S/C6H4N2S/c1-2-9-6-4-8-7-3-5(1)6/h1-4H
InChIKeyBECCJFVVNMJZMR-UHFFFAOYSA-N
MW136.18 g/mol
LogP1.69
Rot. Bonds

About thieno[2,3-d]pyridazine

thieno[2,3-d]pyridazine (PubChem CID 12603003) has the molecular formula C6H4N2S and a molecular weight of 136.18 g/mol. Its IUPAC name is thieno[2,3-d]pyridazine.

Molecular Properties

Compound Namethieno[2,3-d]pyridazine
PubChem CID12603003
Molecular FormulaC6H4N2S
Molecular Weight136.18 g/mol
Exact Mass136.01
IUPAC Namethieno[2,3-d]pyridazine
SMILESc1cc2cnncc2s1
InChIInChI=1S/C6H4N2S/c1-2-9-6-4-8-7-3-5(1)6/h1-4H
InChIKeyBECCJFVVNMJZMR-UHFFFAOYSA-N
XLogP1.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-d]pyridazine?
The IUPAC name of thieno[2,3-d]pyridazine (CID 12603003) is thieno[2,3-d]pyridazine.
What is the SMILES notation for thieno[2,3-d]pyridazine?
The canonical SMILES for thieno[2,3-d]pyridazine is c1cc2cnncc2s1.
What is the InChIKey of thieno[2,3-d]pyridazine?
The InChIKey is BECCJFVVNMJZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S/c1-2-9-6-4-8-7-3-5(1)6/h1-4H.
What are the key properties of thieno[2,3-d]pyridazine?
thieno[2,3-d]pyridazine has a molecular weight of 136.18 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-d]pyridazine is sourced from PubChem (CID 12603003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).