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

C12H15BrN4 — CID 117129831

IUPAC6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCCC1Cc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H15BrN4/c1-16-6-2-3-10(16)7-11-14-12-5-4-9(13)8-17(12)15-11/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyMBOOLUCPIZWJSU-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.13
Rot. Bonds2

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

6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117129831) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117129831
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCCC1Cc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H15BrN4/c1-16-6-2-3-10(16)7-11-14-12-5-4-9(13)8-17(12)15-11/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyMBOOLUCPIZWJSU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129973
2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129871
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873
2-(azepan-1-ylmethyl)-6-bromo-[1,2,4]triazolo[1,5-a]pyridine
CID 117257708
8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257760
[2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132138
8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136667
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129844
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-2-amine
CID 116989892
methyl 2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136907

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117129831) is 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is CN1CCCC1Cc1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MBOOLUCPIZWJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-16-6-2-3-10(16)7-11-14-12-5-4-9(13)8-17(12)15-11/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 295.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117129831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).