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

C13H14BrN3O — CID 117154445

IUPAC2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESOC1CCc2nc(Cc3ccccc3Br)nn2C1
InChIInChI=1S/C13H14BrN3O/c14-11-4-2-1-3-9(11)7-12-15-13-6-5-10(18)8-17(13)16-12/h1-4,10,18H,5-8H2
InChIKeyXBOQSAYBBCRPMJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.94
Rot. Bonds2

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

2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol (PubChem CID 117154445) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
PubChem CID117154445
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESOC1CCc2nc(Cc3ccccc3Br)nn2C1
InChIInChI=1S/C13H14BrN3O/c14-11-4-2-1-3-9(11)7-12-15-13-6-5-10(18)8-17(13)16-12/h1-4,10,18H,5-8H2
InChIKeyXBOQSAYBBCRPMJ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol (CID 117154445) is 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol is OC1CCc2nc(Cc3ccccc3Br)nn2C1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The InChIKey is XBOQSAYBBCRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-11-4-2-1-3-9(11)7-12-15-13-6-5-10(18)8-17(13)16-12/h1-4,10,18H,5-8H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol has a molecular weight of 308.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117154445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).