[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol

C11H12BrN3OS — CID 117155023

IUPAC[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2nc(-c3ccc(Br)s3)nn21
InChIInChI=1S/C11H12BrN3OS/c12-9-5-4-8(17-9)11-13-10-3-1-2-7(6-16)15(10)14-11/h4-5,7,16H,1-3,6H2
InChIKeyUKLVJAFUSJEOFI-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.64
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol

[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol (PubChem CID 117155023) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
PubChem CID117155023
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2nc(-c3ccc(Br)s3)nn21
InChIInChI=1S/C11H12BrN3OS/c12-9-5-4-8(17-9)11-13-10-3-1-2-7(6-16)15(10)14-11/h4-5,7,16H,1-3,6H2
InChIKeyUKLVJAFUSJEOFI-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol
CID 117155027
[2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155092
[(2R)-1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111333291
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155048
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ylmethanol
CID 117155076
(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine
CID 83867313
[2-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155003
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
[3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149610
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504
2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117128421
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128680

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol (CID 117155023) is [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol is OCC1CCCc2nc(-c3ccc(Br)s3)nn21.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is UKLVJAFUSJEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c12-9-5-4-8(17-9)11-13-10-3-1-2-7(6-16)15(10)14-11/h4-5,7,16H,1-3,6H2.
What are the key properties of [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 314.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117155023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).