6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C12H17BrN4 — CID 143183418

IUPAC6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCC(C2=NNC3C=CC(Br)=CN23)CC1
InChIInChI=1S/C12H17BrN4/c1-16-6-4-9(5-7-16)12-15-14-11-3-2-10(13)8-17(11)12/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyLNJSAZUYOHPEPD-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.68
Rot. Bonds1

About 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 143183418) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID143183418
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCC(C2=NNC3C=CC(Br)=CN23)CC1
InChIInChI=1S/C12H17BrN4/c1-16-6-4-9(5-7-16)12-15-14-11-3-2-10(13)8-17(11)12/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyLNJSAZUYOHPEPD-UHFFFAOYSA-N
XLogP1.68
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

2-bromo-4-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 115045486
CID 145001791
CID 145001791
4-(5-bromothiophen-3-yl)-1-methylpiperidine
CID 82380140
1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
CID 84744309
4-(4-bromo-3-methylphenyl)-1-methylpiperidine
CID 142031329
ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 144594096
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
1-bromo-8-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
CID 84744303
4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
CID 56982556
5,6,7-tribromo-2-(1-methylpiperidin-4-yl)-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
CID 118389032
1-bromo-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-amine
CID 117252249

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 143183418) is 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CN1CCC(C2=NNC3C=CC(Br)=CN23)CC1.
What is the InChIKey of 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LNJSAZUYOHPEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-16-6-4-9(5-7-16)12-15-14-11-3-2-10(13)8-17(11)12/h2-3,8-9,11,14H,4-7H2,1H3.
What are the key properties of 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 297.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 143183418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).