5-bromo-3-(piperidin-4-ylmethyl)pyridazine

C10H14BrN3 — CID 117105469

IUPAC5-bromo-3-(piperidin-4-ylmethyl)pyridazine
SMILESBrc1cnnc(CC2CCNCC2)c1
InChIInChI=1S/C10H14BrN3/c11-9-6-10(14-13-7-9)5-8-1-3-12-4-2-8/h6-8,12H,1-5H2
InChIKeyCLSCPLGNKBISJD-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.78
Rot. Bonds2

About 5-bromo-3-(piperidin-4-ylmethyl)pyridazine

5-bromo-3-(piperidin-4-ylmethyl)pyridazine (PubChem CID 117105469) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 5-bromo-3-(piperidin-4-ylmethyl)pyridazine.

Molecular Properties

Compound Name5-bromo-3-(piperidin-4-ylmethyl)pyridazine
PubChem CID117105469
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name5-bromo-3-(piperidin-4-ylmethyl)pyridazine
SMILESBrc1cnnc(CC2CCNCC2)c1
InChIInChI=1S/C10H14BrN3/c11-9-6-10(14-13-7-9)5-8-1-3-12-4-2-8/h6-8,12H,1-5H2
InChIKeyCLSCPLGNKBISJD-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(piperidin-4-ylmethyl)pyridazin-3-amine
CID 117105463
5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
CID 105459668
7-bromo-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84743877
2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116888824
6-(thian-4-ylmethyl)pyridazin-4-amine
CID 117105435
4-[(4-bromothiophen-2-yl)methyl]azepane
CID 83262138
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
4-[(5-bromotriazol-1-yl)methyl]piperidine
CID 84802804
3,5-difluoro-2-(piperidin-4-ylmethyl)pyridine
CID 170068814
[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
4-(1H-imidazol-5-ylmethyl)piperidine
CID 3035842
5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine
CID 117105324

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(piperidin-4-ylmethyl)pyridazine?
The IUPAC name of 5-bromo-3-(piperidin-4-ylmethyl)pyridazine (CID 117105469) is 5-bromo-3-(piperidin-4-ylmethyl)pyridazine.
What is the SMILES notation for 5-bromo-3-(piperidin-4-ylmethyl)pyridazine?
The canonical SMILES for 5-bromo-3-(piperidin-4-ylmethyl)pyridazine is Brc1cnnc(CC2CCNCC2)c1.
What is the InChIKey of 5-bromo-3-(piperidin-4-ylmethyl)pyridazine?
The InChIKey is CLSCPLGNKBISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c11-9-6-10(14-13-7-9)5-8-1-3-12-4-2-8/h6-8,12H,1-5H2.
What are the key properties of 5-bromo-3-(piperidin-4-ylmethyl)pyridazine?
5-bromo-3-(piperidin-4-ylmethyl)pyridazine has a molecular weight of 256.15 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(piperidin-4-ylmethyl)pyridazine is sourced from PubChem (CID 117105469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).