3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C13H14BrN3 — CID 117150518

IUPAC3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCCc2nnc(-c3ccc(Br)cc3)n21
InChIInChI=1S/C13H14BrN3/c1-9-3-2-4-12-15-16-13(17(9)12)10-5-7-11(14)8-6-10/h5-9H,2-4H2,1H3
InChIKeyNAGWYIMQNNBQHK-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.60
Rot. Bonds1

About 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117150518) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117150518
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCCc2nnc(-c3ccc(Br)cc3)n21
InChIInChI=1S/C13H14BrN3/c1-9-3-2-4-12-15-16-13(17(9)12)10-5-7-11(14)8-6-10/h5-9H,2-4H2,1H3
InChIKeyNAGWYIMQNNBQHK-UHFFFAOYSA-N
XLogP3.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117150518) is 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCCc2nnc(-c3ccc(Br)cc3)n21.
What is the InChIKey of 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NAGWYIMQNNBQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-3-2-4-12-15-16-13(17(9)12)10-5-7-11(14)8-6-10/h5-9H,2-4H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 292.18 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117150518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).