[(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine

C12H15N3OS — CID 105322474

IUPAC[(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCOc1cnccc1C(NN)c1sccc1C
InChIInChI=1S/C12H15N3OS/c1-8-4-6-17-12(8)11(15-13)9-3-5-14-7-10(9)16-2/h3-7,11,15H,13H2,1-2H3
InChIKeyOAFFGQAGMCGTPK-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.01
Rot. Bonds4

About [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine

[(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105322474) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105322474
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCOc1cnccc1C(NN)c1sccc1C
InChIInChI=1S/C12H15N3OS/c1-8-4-6-17-12(8)11(15-13)9-3-5-14-7-10(9)16-2/h3-7,11,15H,13H2,1-2H3
InChIKeyOAFFGQAGMCGTPK-UHFFFAOYSA-N
XLogP2.01
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
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-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine (CID 105322474) is [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine is COc1cnccc1C(NN)c1sccc1C.
What is the InChIKey of [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is OAFFGQAGMCGTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-4-6-17-12(8)11(15-13)9-3-5-14-7-10(9)16-2/h3-7,11,15H,13H2,1-2H3.
What are the key properties of [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
[(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 249.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105322474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).