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

C9H10ClN3S — CID 123586516

IUPAC3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine
SMILESCC(C)c1sc2nnc(Cl)cc2c1N
InChIInChI=1S/C9H10ClN3S/c1-4(2)8-7(11)5-3-6(10)12-13-9(5)14-8/h3-4H,11H2,1-2H3
InChIKeyKDRNTOYPTFLQPB-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.05
Rot. Bonds1

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

3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine (PubChem CID 123586516) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine.

Molecular Properties

Compound Name3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine
PubChem CID123586516
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine
SMILESCC(C)c1sc2nnc(Cl)cc2c1N
InChIInChI=1S/C9H10ClN3S/c1-4(2)8-7(11)5-3-6(10)12-13-9(5)14-8/h3-4H,11H2,1-2H3
InChIKeyKDRNTOYPTFLQPB-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethenyl-3,4-dimethylthieno[2,3-c]pyridazin-5-amine
CID 134502848
3-Chloro-6,7-dimethylthieno[3,2-c]pyridazine
CID 157153766
2-(3-Chlorothieno[2,3-c]pyridazin-6-yl)ethanamine
CID 166128008
3-(3-Chlorothieno[2,3-c]pyridazin-6-yl)boretane-1-carbonitrile
CID 166128115
4-(3-Chloro-5-methylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile
CID 166128175
3-Chlorothieno[3,2-c]pyridazin-6-amine
CID 170349943
3,6-Dichloro-5-cyclopropylthieno[2,3-c]pyridazine
CID 170349987
3-Chloro-5-methylthieno[2,3-c]pyridazin-6-amine
CID 170350002
3-Chloro-5-cyclopropylthieno[2,3-c]pyridazin-6-amine
CID 170350052
3,6-Dichloro-5-methylthieno[2,3-c]pyridazine
CID 170350232
6-Chloro-3,5-dimethylthieno[2,3-c]pyridazine
CID 170581705
4-Chloro-6-propan-2-ylthieno[3,2-d]triazine
CID 115028536

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine?
The IUPAC name of 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine (CID 123586516) is 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine.
What is the SMILES notation for 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine?
The canonical SMILES for 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine is CC(C)c1sc2nnc(Cl)cc2c1N.
What is the InChIKey of 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine?
The InChIKey is KDRNTOYPTFLQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c1-4(2)8-7(11)5-3-6(10)12-13-9(5)14-8/h3-4H,11H2,1-2H3.
What are the key properties of 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine?
3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine has a molecular weight of 227.72 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-propan-2-ylthieno[2,3-c]pyridazin-5-amine is sourced from PubChem (CID 123586516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).