[2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine

C17H23N3O — CID 79262186

IUPAC[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCC1=CC(=C(C=C1)OCC2=NC=CC(=C2)NN)C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-12-5-6-16(15(9-12)17(2,3)4)21-11-14-10-13(20-18)7-8-19-14/h5-10H,11,18H2,1-4H3,(H,19,20)
InChIKeyLPHPFXNLBJMSRZ-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.60
Rot. Bonds5

About [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine

[2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine (PubChem CID 79262186) has the molecular formula C17H23N3O and a molecular weight of 285.40 g/mol. Its IUPAC name is [2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
PubChem CID79262186
Molecular FormulaC17H23N3O
Molecular Weight285.40 g/mol
Exact Mass285.18
IUPAC Name[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCC1=CC(=C(C=C1)OCC2=NC=CC(=C2)NN)C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-12-5-6-16(15(9-12)17(2,3)4)21-11-14-10-13(20-18)7-8-19-14/h5-10H,11,18H2,1-4H3,(H,19,20)
InChIKeyLPHPFXNLBJMSRZ-UHFFFAOYSA-N
XLogP3.60
TPSA60.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity316

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.60
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 [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine (CID 79262186) is [2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine is CC1=CC(=C(C=C1)OCC2=NC=CC(=C2)NN)C(C)(C)C.
What is the InChIKey of [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine?
The InChIKey is LPHPFXNLBJMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-6-16(15(9-12)17(2,3)4)21-11-14-10-13(20-18)7-8-19-14/h5-10H,11,18H2,1-4H3,(H,19,20).
What are the key properties of [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine?
[2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine has a molecular weight of 285.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-Tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79262186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).