[(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine

C13H17N3S — CID 105266430

IUPAC[(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1cnc(C(NN)c2sccc2C)c(C)c1
InChIInChI=1S/C13H17N3S/c1-8-6-10(3)11(15-7-8)12(16-14)13-9(2)4-5-17-13/h4-7,12,16H,14H2,1-3H3
InChIKeyBOGNOJACASTGOH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.62
Rot. Bonds3

About [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine

[(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105266430) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105266430
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1cnc(C(NN)c2sccc2C)c(C)c1
InChIInChI=1S/C13H17N3S/c1-8-6-10(3)11(15-7-8)12(16-14)13-9(2)4-5-17-13/h4-7,12,16H,14H2,1-3H3
InChIKeyBOGNOJACASTGOH-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine (CID 105266430) is [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine is Cc1cnc(C(NN)c2sccc2C)c(C)c1.
What is the InChIKey of [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is BOGNOJACASTGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-6-10(3)11(15-7-8)12(16-14)13-9(2)4-5-17-13/h4-7,12,16H,14H2,1-3H3.
What are the key properties of [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine?
[(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 247.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethyl-2-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105266430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).