3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine

C9H6Cl2N2S — CID 170349987

IUPAC3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine
SMILESClc1cc2c(C3CC3)c(Cl)sc2nn1
InChIInChI=1S/C9H6Cl2N2S/c10-6-3-5-7(4-1-2-4)8(11)14-9(5)13-12-6/h3-4H,1-2H2
InChIKeySIVVXZIOZKTNHL-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.88
Rot. Bonds1

About 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine

3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine (PubChem CID 170349987) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine
PubChem CID170349987
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine
SMILESClc1cc2c(C3CC3)c(Cl)sc2nn1
InChIInChI=1S/C9H6Cl2N2S/c10-6-3-5-7(4-1-2-4)8(11)14-9(5)13-12-6/h3-4H,1-2H2
InChIKeySIVVXZIOZKTNHL-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine?
The IUPAC name of 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine (CID 170349987) is 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine.
What is the SMILES notation for 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine?
The canonical SMILES for 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine is Clc1cc2c(C3CC3)c(Cl)sc2nn1.
What is the InChIKey of 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine?
The InChIKey is SIVVXZIOZKTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c10-6-3-5-7(4-1-2-4)8(11)14-9(5)13-12-6/h3-4H,1-2H2.
What are the key properties of 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine?
3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine has a molecular weight of 245.13 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-cyclopropylthieno[2,3-c]pyridazine is sourced from PubChem (CID 170349987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).