2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide

C11H14N4OS — CID 84613480

IUPAC2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide
SMILESCSc1nc(C)c(CC(=O)NN)c(C)c1C#N
InChIInChI=1S/C11H14N4OS/c1-6-8(4-10(16)15-13)7(2)14-11(17-3)9(6)5-12/h4,13H2,1-3H3,(H,15,16)
InChIKeySKDIAIYQKDALBS-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.82
Rot. Bonds3

About 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide

2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide (PubChem CID 84613480) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide.

Molecular Properties

Compound Name2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide
PubChem CID84613480
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide
SMILESCSc1nc(C)c(CC(=O)NN)c(C)c1C#N
InChIInChI=1S/C11H14N4OS/c1-6-8(4-10(16)15-13)7(2)14-11(17-3)9(6)5-12/h4,13H2,1-3H3,(H,15,16)
InChIKeySKDIAIYQKDALBS-UHFFFAOYSA-N
XLogP0.82
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide?
The IUPAC name of 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide (CID 84613480) is 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide.
What is the SMILES notation for 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide?
The canonical SMILES for 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide is CSc1nc(C)c(CC(=O)NN)c(C)c1C#N.
What is the InChIKey of 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide?
The InChIKey is SKDIAIYQKDALBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-6-8(4-10(16)15-13)7(2)14-11(17-3)9(6)5-12/h4,13H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide?
2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide has a molecular weight of 250.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2,4-dimethyl-6-methylsulfanyl-3-pyridinyl)acetohydrazide is sourced from PubChem (CID 84613480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).