3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine

C15H18ClN3S — CID 170581905

IUPAC3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine
SMILESCN1CCC(c2sc3nnc(Cl)cc3c2C2CC2)CC1
InChIInChI=1S/C15H18ClN3S/c1-19-6-4-10(5-7-19)14-13(9-2-3-9)11-8-12(16)17-18-15(11)20-14/h8-10H,2-7H2,1H3
InChIKeyGAVZYCLOTNBJSD-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.03
Rot. Bonds2

About 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine

3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine (PubChem CID 170581905) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine
PubChem CID170581905
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine
SMILESCN1CCC(c2sc3nnc(Cl)cc3c2C2CC2)CC1
InChIInChI=1S/C15H18ClN3S/c1-19-6-4-10(5-7-19)14-13(9-2-3-9)11-8-12(16)17-18-15(11)20-14/h8-10H,2-7H2,1H3
InChIKeyGAVZYCLOTNBJSD-UHFFFAOYSA-N
XLogP4.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine?
The IUPAC name of 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine (CID 170581905) is 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine.
What is the SMILES notation for 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine?
The canonical SMILES for 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine is CN1CCC(c2sc3nnc(Cl)cc3c2C2CC2)CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine?
The InChIKey is GAVZYCLOTNBJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-19-6-4-10(5-7-19)14-13(9-2-3-9)11-8-12(16)17-18-15(11)20-14/h8-10H,2-7H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine?
3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine has a molecular weight of 307.85 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-6-(1-methylpiperidin-4-yl)thieno[2,3-c]pyridazine is sourced from PubChem (CID 170581905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).