3-bromo-5-pyrrolidin-1-ylpyridazine

C8H10BrN3 — CID 90288612

IUPAC3-bromo-5-pyrrolidin-1-ylpyridazine
SMILESBrc1cc(N2CCCC2)cnn1
InChIInChI=1S/C8H10BrN3/c9-8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyHBLOQWNGZRELPN-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.84
Rot. Bonds1

About 3-bromo-5-pyrrolidin-1-ylpyridazine

3-bromo-5-pyrrolidin-1-ylpyridazine (PubChem CID 90288612) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 3-bromo-5-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-bromo-5-pyrrolidin-1-ylpyridazine
PubChem CID90288612
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name3-bromo-5-pyrrolidin-1-ylpyridazine
SMILESBrc1cc(N2CCCC2)cnn1
InChIInChI=1S/C8H10BrN3/c9-8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyHBLOQWNGZRELPN-UHFFFAOYSA-N
XLogP1.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-bromo-5-pyrrolidin-1-ylpyridazine (CID 90288612) is 3-bromo-5-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-bromo-5-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-bromo-5-pyrrolidin-1-ylpyridazine is Brc1cc(N2CCCC2)cnn1.
What is the InChIKey of 3-bromo-5-pyrrolidin-1-ylpyridazine?
The InChIKey is HBLOQWNGZRELPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c9-8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2.
What are the key properties of 3-bromo-5-pyrrolidin-1-ylpyridazine?
3-bromo-5-pyrrolidin-1-ylpyridazine has a molecular weight of 228.09 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 90288612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).