6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C11H12BrN3O — CID 117139205

IUPAC6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(CC3CCCO3)n2c1
InChIInChI=1S/C11H12BrN3O/c12-8-3-4-10-13-14-11(15(10)7-8)6-9-2-1-5-16-9/h3-4,7,9H,1-2,5-6H2
InChIKeySXVYJNMFWRNNDV-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.21
Rot. Bonds2

About 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139205) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139205
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(CC3CCCO3)n2c1
InChIInChI=1S/C11H12BrN3O/c12-8-3-4-10-13-14-11(15(10)7-8)6-9-2-1-5-16-9/h3-4,7,9H,1-2,5-6H2
InChIKeySXVYJNMFWRNNDV-UHFFFAOYSA-N
XLogP2.21
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
CID 66434028
6-bromo-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139057
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144169
6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139131
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143568
3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63953397
3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
3-(oxan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141070
6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 3180938
4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 1154310
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 1154351
4-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 65349371

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117139205) is 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(CC3CCCO3)n2c1.
What is the InChIKey of 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SXVYJNMFWRNNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-8-3-4-10-13-14-11(15(10)7-8)6-9-2-1-5-16-9/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 282.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).