2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C7H10BrN3 — CID 83886940

IUPAC2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCc2nc(Br)nn2C1
InChIInChI=1S/C7H10BrN3/c1-5-2-3-6-9-7(8)10-11(6)4-5/h5H,2-4H2,1H3
InChIKeyNNURMNLUPTVYSL-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.62
Rot. Bonds

About 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83886940) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83886940
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCc2nc(Br)nn2C1
InChIInChI=1S/C7H10BrN3/c1-5-2-3-6-9-7(8)10-11(6)4-5/h5H,2-4H2,1H3
InChIKeyNNURMNLUPTVYSL-UHFFFAOYSA-N
XLogP1.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117127941
2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154492
2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 83866321
6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117153777
6-methyl-2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117153926
6-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567568
4-[(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966796
2-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117154081
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567562
2-[(2-methoxyphenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567587
3-bromo-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 84703665
2,3,6-trimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83217451

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 83886940) is 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC1CCc2nc(Br)nn2C1.
What is the InChIKey of 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NNURMNLUPTVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-5-2-3-6-9-7(8)10-11(6)4-5/h5H,2-4H2,1H3.
What are the key properties of 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 216.08 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83886940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).