[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine

C15H24ClN3O — CID 105277526

IUPAC[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
SMILESCOC1(C(Cc2ccncc2Cl)NN)CCCC(C)C1
InChIInChI=1S/C15H24ClN3O/c1-11-4-3-6-15(9-11,20-2)14(19-17)8-12-5-7-18-10-13(12)16/h5,7,10-11,14,19H,3-4,6,8-9,17H2,1-2H3
InChIKeyZFSKALPHRQWJDZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.70
Rot. Bonds5

About [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine

[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine (PubChem CID 105277526) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
PubChem CID105277526
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
SMILESCOC1(C(Cc2ccncc2Cl)NN)CCCC(C)C1
InChIInChI=1S/C15H24ClN3O/c1-11-4-3-6-15(9-11,20-2)14(19-17)8-12-5-7-18-10-13(12)16/h5,7,10-11,14,19H,3-4,6,8-9,17H2,1-2H3
InChIKeyZFSKALPHRQWJDZ-UHFFFAOYSA-N
XLogP2.70
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.70
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-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine (CID 105277526) is [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine is COC1(C(Cc2ccncc2Cl)NN)CCCC(C)C1.
What is the InChIKey of [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine?
The InChIKey is ZFSKALPHRQWJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11-4-3-6-15(9-11,20-2)14(19-17)8-12-5-7-18-10-13(12)16/h5,7,10-11,14,19H,3-4,6,8-9,17H2,1-2H3.
What are the key properties of [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine?
[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine has a molecular weight of 297.83 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 105277526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).