[5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine

C13H21ClN4 — CID 83221611

IUPAC[5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
SMILESCCC1CCC(C)N1Cc1nc(NN)ccc1Cl
InChIInChI=1S/C13H21ClN4/c1-3-10-5-4-9(2)18(10)8-12-11(14)6-7-13(16-12)17-15/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyKUBRANIBCAGMKO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.78
Rot. Bonds4

About [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine

[5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine (PubChem CID 83221611) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
PubChem CID83221611
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name[5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
SMILESCCC1CCC(C)N1Cc1nc(NN)ccc1Cl
InChIInChI=1S/C13H21ClN4/c1-3-10-5-4-9(2)18(10)8-12-11(14)6-7-13(16-12)17-15/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyKUBRANIBCAGMKO-UHFFFAOYSA-N
XLogP2.78
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.78
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 [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine (CID 83221611) is [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine is CCC1CCC(C)N1Cc1nc(NN)ccc1Cl.
What is the InChIKey of [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine?
The InChIKey is KUBRANIBCAGMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-10-5-4-9(2)18(10)8-12-11(14)6-7-13(16-12)17-15/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine has a molecular weight of 268.79 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 83221611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).