[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine

C14H21Cl2N3O — CID 102762705

IUPAC[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine
SMILESCC1CC(Oc2nc(NN)c(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C14H21Cl2N3O/c1-8-4-9(7-14(2,3)6-8)20-13-11(16)5-10(15)12(18-13)19-17/h5,8-9H,4,6-7,17H2,1-3H3,(H,18,19)
InChIKeyUSOOHNUXVYAQIC-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.27
Rot. Bonds3

About [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine

[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine (PubChem CID 102762705) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine
PubChem CID102762705
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine
SMILESCC1CC(Oc2nc(NN)c(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C14H21Cl2N3O/c1-8-4-9(7-14(2,3)6-8)20-13-11(16)5-10(15)12(18-13)19-17/h5,8-9H,4,6-7,17H2,1-3H3,(H,18,19)
InChIKeyUSOOHNUXVYAQIC-UHFFFAOYSA-N
XLogP4.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.27
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-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine?
The IUPAC name of [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine (CID 102762705) is [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine.
What is the SMILES notation for [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine?
The canonical SMILES for [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine is CC1CC(Oc2nc(NN)c(Cl)cc2Cl)CC(C)(C)C1.
What is the InChIKey of [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine?
The InChIKey is USOOHNUXVYAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-8-4-9(7-14(2,3)6-8)20-13-11(16)5-10(15)12(18-13)19-17/h5,8-9H,4,6-7,17H2,1-3H3,(H,18,19).
What are the key properties of [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine?
[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine has a molecular weight of 318.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine is sourced from PubChem (CID 102762705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).