[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine

C12H18ClN3 — CID 105252962

IUPAC[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
SMILESNNC(CC1CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H18ClN3/c13-12-6-5-10(8-15-12)11(16-14)7-9-3-1-2-4-9/h5-6,8-9,11,16H,1-4,7,14H2
InChIKeyQTKHAGMOSNKRRG-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.82
Rot. Bonds4

About [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine

[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine (PubChem CID 105252962) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine.

Molecular Properties

Compound Name[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
PubChem CID105252962
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
SMILESNNC(CC1CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H18ClN3/c13-12-6-5-10(8-15-12)11(16-14)7-9-3-1-2-4-9/h5-6,8-9,11,16H,1-4,7,14H2
InChIKeyQTKHAGMOSNKRRG-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine?
The IUPAC name of [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine (CID 105252962) is [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine.
What is the SMILES notation for [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine?
The canonical SMILES for [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine is NNC(CC1CCCC1)c1ccc(Cl)nc1.
What is the InChIKey of [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine?
The InChIKey is QTKHAGMOSNKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c13-12-6-5-10(8-15-12)11(16-14)7-9-3-1-2-4-9/h5-6,8-9,11,16H,1-4,7,14H2.
What are the key properties of [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine?
[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine has a molecular weight of 239.75 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine is sourced from PubChem (CID 105252962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).