3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine

C9H9ClN4S — CID 62409180

IUPAC3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine
SMILESCc1cc(Sc2ccc(Cl)nn2)n(C)n1
InChIInChI=1S/C9H9ClN4S/c1-6-5-9(14(2)13-6)15-8-4-3-7(10)11-12-8/h3-5H,1-2H3
InChIKeyUTPROHGZDPFZHV-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.32
Rot. Bonds2

About 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine

3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine (PubChem CID 62409180) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine
PubChem CID62409180
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine
SMILESCc1cc(Sc2ccc(Cl)nn2)n(C)n1
InChIInChI=1S/C9H9ClN4S/c1-6-5-9(14(2)13-6)15-8-4-3-7(10)11-12-8/h3-5H,1-2H3
InChIKeyUTPROHGZDPFZHV-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine?
The IUPAC name of 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine (CID 62409180) is 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine.
What is the SMILES notation for 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine?
The canonical SMILES for 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine is Cc1cc(Sc2ccc(Cl)nn2)n(C)n1.
What is the InChIKey of 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine?
The InChIKey is UTPROHGZDPFZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-5-9(14(2)13-6)15-8-4-3-7(10)11-12-8/h3-5H,1-2H3.
What are the key properties of 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine?
3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine has a molecular weight of 240.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridazine is sourced from PubChem (CID 62409180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).