3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine

C11H8BrN3S — CID 117139459

IUPAC3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(-c3ccc(Br)s3)n2c1
InChIInChI=1S/C11H8BrN3S/c1-7-2-5-10-13-14-11(15(10)6-7)8-3-4-9(12)16-8/h2-6H,1H3
InChIKeyISDNTPJBGJEMNF-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.53
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139459) has the molecular formula C11H8BrN3S and a molecular weight of 294.18 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139459
Molecular FormulaC11H8BrN3S
Molecular Weight294.18 g/mol
Exact Mass292.96
IUPAC Name3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(-c3ccc(Br)s3)n2c1
InChIInChI=1S/C11H8BrN3S/c1-7-2-5-10-13-14-11(15(10)6-7)8-3-4-9(12)16-8/h2-6H,1H3
InChIKeyISDNTPJBGJEMNF-UHFFFAOYSA-N
XLogP3.53
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 117139459) is 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc2nnc(-c3ccc(Br)s3)n2c1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ISDNTPJBGJEMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S/c1-7-2-5-10-13-14-11(15(10)6-7)8-3-4-9(12)16-8/h2-6H,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 294.18 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).