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

C13H14BrN3O — CID 117158186

IUPAC2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOC1CCCn2nc(Cc3ccc(Br)cc3)nc21
InChIInChI=1S/C13H14BrN3O/c14-10-5-3-9(4-6-10)8-12-15-13-11(18)2-1-7-17(13)16-12/h3-6,11,18H,1-2,7-8H2
InChIKeyVVRYZCOLFPDXHR-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.46
Rot. Bonds2

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

2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 117158186) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID117158186
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOC1CCCn2nc(Cc3ccc(Br)cc3)nc21
InChIInChI=1S/C13H14BrN3O/c14-10-5-3-9(4-6-10)8-12-15-13-11(18)2-1-7-17(13)16-12/h3-6,11,18H,1-2,7-8H2
InChIKeyVVRYZCOLFPDXHR-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol with MolForge

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Related Compounds

4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83965265
2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154492
2-(thian-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157959
2-(1-aminoethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 83966851
[2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 166202227
8-methyl-2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117158127
2-amino-1-[(2R)-2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 124700038
[2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153630
1-[2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 119784058
4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
CID 63868061
[5-[(4-bromophenyl)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593269
5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 66303346

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 117158186) is 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is OC1CCCn2nc(Cc3ccc(Br)cc3)nc21.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is VVRYZCOLFPDXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-10-5-3-9(4-6-10)8-12-15-13-11(18)2-1-7-17(13)16-12/h3-6,11,18H,1-2,7-8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 308.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 117158186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).