(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone

C9H10BrN3O — CID 104672542

IUPAC(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC(Br)C1
InChIInChI=1S/C9H10BrN3O/c10-8-2-4-13(6-8)9(14)7-1-3-11-12-5-7/h1,3,5,8H,2,4,6H2
InChIKeyVZZJNZAYKBAYQC-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.09
Rot. Bonds1

About (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone

(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone (PubChem CID 104672542) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
PubChem CID104672542
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC(Br)C1
InChIInChI=1S/C9H10BrN3O/c10-8-2-4-13(6-8)9(14)7-1-3-11-12-5-7/h1,3,5,8H,2,4,6H2
InChIKeyVZZJNZAYKBAYQC-UHFFFAOYSA-N
XLogP1.09
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545
(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
CID 114682903
[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672520
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
4-(3-bromopyrrolidine-1-carbonyl)benzonitrile
CID 80677317
(3-bromopyrrolidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 80678075
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677696
(3-bromopyrrolidin-1-yl)-(4-nitrophenyl)methanone
CID 80678087
N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
CID 113439455
[4-(2-bromoethoxy)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672782
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724

Frequently Asked Questions

What is the IUPAC name of (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone (CID 104672542) is (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCC(Br)C1.
What is the InChIKey of (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone?
The InChIKey is VZZJNZAYKBAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c10-8-2-4-13(6-8)9(14)7-1-3-11-12-5-7/h1,3,5,8H,2,4,6H2.
What are the key properties of (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone?
(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone has a molecular weight of 256.10 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 104672542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).