3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one

C13H14Cl2N4OS — CID 71221503

IUPAC3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(Sc2c(Cl)cc(NN)cc2Cl)n[nH]c1=O
InChIInChI=1S/C13H14Cl2N4OS/c1-6(2)8-5-11(18-19-13(8)20)21-12-9(14)3-7(17-16)4-10(12)15/h3-6,17H,16H2,1-2H3,(H,19,20)
InChIKeyWKYAUVGTYLLONZ-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.64
Rot. Bonds4

About 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one

3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one (PubChem CID 71221503) has the molecular formula C13H14Cl2N4OS and a molecular weight of 345.26 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one
PubChem CID71221503
Molecular FormulaC13H14Cl2N4OS
Molecular Weight345.26 g/mol
Exact Mass344.03
IUPAC Name3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(Sc2c(Cl)cc(NN)cc2Cl)n[nH]c1=O
InChIInChI=1S/C13H14Cl2N4OS/c1-6(2)8-5-11(18-19-13(8)20)21-12-9(14)3-7(17-16)4-10(12)15/h3-6,17H,16H2,1-2H3,(H,19,20)
InChIKeyWKYAUVGTYLLONZ-UHFFFAOYSA-N
XLogP3.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one (CID 71221503) is 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one is CC(C)c1cc(Sc2c(Cl)cc(NN)cc2Cl)n[nH]c1=O.
What is the InChIKey of 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is WKYAUVGTYLLONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4OS/c1-6(2)8-5-11(18-19-13(8)20)21-12-9(14)3-7(17-16)4-10(12)15/h3-6,17H,16H2,1-2H3,(H,19,20).
What are the key properties of 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one?
3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 345.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-hydrazinylphenyl)sulfanyl-5-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 71221503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).