4-benzylsulfanyl-6-chloropyridazin-3-amine

C11H10ClN3S — CID 122507888

IUPAC4-benzylsulfanyl-6-chloropyridazin-3-amine
SMILESNc1nnc(Cl)cc1SCc1ccccc1
InChIInChI=1S/C11H10ClN3S/c12-10-6-9(11(13)15-14-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,15)
InChIKeyRBXBPKWMIBGJLK-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.00
Rot. Bonds3

About 4-benzylsulfanyl-6-chloropyridazin-3-amine

4-benzylsulfanyl-6-chloropyridazin-3-amine (PubChem CID 122507888) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 4-benzylsulfanyl-6-chloropyridazin-3-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-6-chloropyridazin-3-amine
PubChem CID122507888
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name4-benzylsulfanyl-6-chloropyridazin-3-amine
SMILESNc1nnc(Cl)cc1SCc1ccccc1
InChIInChI=1S/C11H10ClN3S/c12-10-6-9(11(13)15-14-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,15)
InChIKeyRBXBPKWMIBGJLK-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-6-chloropyridazin-3-amine?
The IUPAC name of 4-benzylsulfanyl-6-chloropyridazin-3-amine (CID 122507888) is 4-benzylsulfanyl-6-chloropyridazin-3-amine.
What is the SMILES notation for 4-benzylsulfanyl-6-chloropyridazin-3-amine?
The canonical SMILES for 4-benzylsulfanyl-6-chloropyridazin-3-amine is Nc1nnc(Cl)cc1SCc1ccccc1.
What is the InChIKey of 4-benzylsulfanyl-6-chloropyridazin-3-amine?
The InChIKey is RBXBPKWMIBGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c12-10-6-9(11(13)15-14-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,15).
What are the key properties of 4-benzylsulfanyl-6-chloropyridazin-3-amine?
4-benzylsulfanyl-6-chloropyridazin-3-amine has a molecular weight of 251.74 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-6-chloropyridazin-3-amine is sourced from PubChem (CID 122507888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).