2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide

C15H17N3O3S — CID 43817505

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide
SMILESCOc1ccc(-c2ccc(SC(C)C(N)=O)nn2)cc1OC
InChIInChI=1S/C15H17N3O3S/c1-9(15(16)19)22-14-7-5-11(17-18-14)10-4-6-12(20-2)13(8-10)21-3/h4-9H,1-3H3,(H2,16,19)
InChIKeyZNJLAUKWXZPCPU-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.13
Rot. Bonds6

About 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide (PubChem CID 43817505) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide
PubChem CID43817505
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide
SMILESCOc1ccc(-c2ccc(SC(C)C(N)=O)nn2)cc1OC
InChIInChI=1S/C15H17N3O3S/c1-9(15(16)19)22-14-7-5-11(17-18-14)10-4-6-12(20-2)13(8-10)21-3/h4-9H,1-3H3,(H2,16,19)
InChIKeyZNJLAUKWXZPCPU-UHFFFAOYSA-N
XLogP2.13
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide (CID 43817505) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide is COc1ccc(-c2ccc(SC(C)C(N)=O)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide?
The InChIKey is ZNJLAUKWXZPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9(15(16)19)22-14-7-5-11(17-18-14)10-4-6-12(20-2)13(8-10)21-3/h4-9H,1-3H3,(H2,16,19).
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide has a molecular weight of 319.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide is sourced from PubChem (CID 43817505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).