8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C12H15BrN4 — CID 117136097

IUPAC8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCC(Cc2nc3c(Br)cccn3n2)C1
InChIInChI=1S/C12H15BrN4/c1-16-6-4-9(8-16)7-11-14-12-10(13)3-2-5-17(12)15-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyWHVHVPLWBWIFDR-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.99
Rot. Bonds2

About 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117136097) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117136097
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCC(Cc2nc3c(Br)cccn3n2)C1
InChIInChI=1S/C12H15BrN4/c1-16-6-4-9(8-16)7-11-14-12-10(13)3-2-5-17(12)15-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyWHVHVPLWBWIFDR-UHFFFAOYSA-N
XLogP1.99
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136107
8-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136108
N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine
CID 117257987
2-[(1-ethylpiperidin-4-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136154
2-[(1-ethylpiperidin-3-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136928
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
CID 83844072
2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129065
8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136147
2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136208
8-chloro-2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136192

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117136097) is 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is CN1CCC(Cc2nc3c(Br)cccn3n2)C1.
What is the InChIKey of 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WHVHVPLWBWIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-16-6-4-9(8-16)7-11-14-12-10(13)3-2-5-17(12)15-11/h2-3,5,9H,4,6-8H2,1H3.
What are the key properties of 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 295.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117136097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).