3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine

C11H16BrN3 — CID 80680463

IUPAC3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
SMILESBrCCCC1CCCN1c1cccnn1
InChIInChI=1S/C11H16BrN3/c12-7-1-4-10-5-3-9-15(10)11-6-2-8-13-14-11/h2,6,8,10H,1,3-5,7,9H2
InChIKeyAYHKUIFSYPBQNJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.62
Rot. Bonds4

About 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine

3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine (PubChem CID 80680463) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
PubChem CID80680463
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
SMILESBrCCCC1CCCN1c1cccnn1
InChIInChI=1S/C11H16BrN3/c12-7-1-4-10-5-3-9-15(10)11-6-2-8-13-14-11/h2,6,8,10H,1,3-5,7,9H2
InChIKeyAYHKUIFSYPBQNJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine?
The IUPAC name of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine (CID 80680463) is 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine is BrCCCC1CCCN1c1cccnn1.
What is the InChIKey of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine?
The InChIKey is AYHKUIFSYPBQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-7-1-4-10-5-3-9-15(10)11-6-2-8-13-14-11/h2,6,8,10H,1,3-5,7,9H2.
What are the key properties of 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine?
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine has a molecular weight of 270.17 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 80680463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).