3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine

C9H8ClN3S — CID 170350052

IUPAC3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine
SMILESNc1sc2nnc(Cl)cc2c1C1CC1
InChIInChI=1S/C9H8ClN3S/c10-6-3-5-7(4-1-2-4)8(11)14-9(5)13-12-6/h3-4H,1-2,11H2
InChIKeySNALWOGYNHXDFU-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.80
Rot. Bonds1

About 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine

3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine (PubChem CID 170350052) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine.

Molecular Properties

Compound Name3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine
PubChem CID170350052
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine
SMILESNc1sc2nnc(Cl)cc2c1C1CC1
InChIInChI=1S/C9H8ClN3S/c10-6-3-5-7(4-1-2-4)8(11)14-9(5)13-12-6/h3-4H,1-2,11H2
InChIKeySNALWOGYNHXDFU-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine?
The IUPAC name of 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine (CID 170350052) is 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine.
What is the SMILES notation for 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine?
The canonical SMILES for 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine is Nc1sc2nnc(Cl)cc2c1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine?
The InChIKey is SNALWOGYNHXDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-6-3-5-7(4-1-2-4)8(11)14-9(5)13-12-6/h3-4H,1-2,11H2.
What are the key properties of 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine?
3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine has a molecular weight of 225.70 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine is sourced from PubChem (CID 170350052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).