6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H11BrN4O — CID 39080163

IUPAC6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(COc3ccccc3)nnc12
InChIInChI=1S/C13H11BrN4O/c14-9-6-11(15)13-17-16-12(18(13)7-9)8-19-10-4-2-1-3-5-10/h1-7H,8,15H2
InChIKeySHRQNHCCWJLERI-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.65
Rot. Bonds3

About 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080163) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080163
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Br)cn2c(COc3ccccc3)nnc12
InChIInChI=1S/C13H11BrN4O/c14-9-6-11(15)13-17-16-12(18(13)7-9)8-19-10-4-2-1-3-5-10/h1-7H,8,15H2
InChIKeySHRQNHCCWJLERI-UHFFFAOYSA-N
XLogP2.65
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080157
6-bromo-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080190
3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
CID 626571
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080095
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080103
3-[(1-phenyltetrazol-5-yl)methoxy]aniline
CID 61035872
6-bromo-3-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 117256189
6-bromo-3-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080153
4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117187606

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080163) is 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Br)cn2c(COc3ccccc3)nnc12.
What is the InChIKey of 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is SHRQNHCCWJLERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c14-9-6-11(15)13-17-16-12(18(13)7-9)8-19-10-4-2-1-3-5-10/h1-7H,8,15H2.
What are the key properties of 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 319.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).