3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine

C11H13ClN4S — CID 170350072

IUPAC3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine
SMILESCc1c(N2CCNCC2)sc2nnc(Cl)cc12
InChIInChI=1S/C11H13ClN4S/c1-7-8-6-9(12)14-15-10(8)17-11(7)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3
InChIKeyHXFVEPNNXPAEMX-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.06
Rot. Bonds1

About 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine

3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine (PubChem CID 170350072) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine
PubChem CID170350072
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine
SMILESCc1c(N2CCNCC2)sc2nnc(Cl)cc12
InChIInChI=1S/C11H13ClN4S/c1-7-8-6-9(12)14-15-10(8)17-11(7)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3
InChIKeyHXFVEPNNXPAEMX-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine?
The IUPAC name of 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine (CID 170350072) is 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine.
What is the SMILES notation for 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine?
The canonical SMILES for 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine is Cc1c(N2CCNCC2)sc2nnc(Cl)cc12.
What is the InChIKey of 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine?
The InChIKey is HXFVEPNNXPAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-7-8-6-9(12)14-15-10(8)17-11(7)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3.
What are the key properties of 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine?
3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine has a molecular weight of 268.77 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazine is sourced from PubChem (CID 170350072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).