7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C13H17BrN4 — CID 117134207

IUPAC7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCCC1c1nc2cc(Br)ccn2n1
InChIInChI=1S/C13H17BrN4/c1-9(2)17-6-3-4-11(17)13-15-12-8-10(14)5-7-18(12)16-13/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyXFAKVPSOHYKJSQ-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.04
Rot. Bonds2

About 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117134207) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117134207
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCCC1c1nc2cc(Br)ccn2n1
InChIInChI=1S/C13H17BrN4/c1-9(2)17-6-3-4-11(17)13-15-12-8-10(14)5-7-18(12)16-13/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyXFAKVPSOHYKJSQ-UHFFFAOYSA-N
XLogP3.04
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,2-a]pyridine
CID 117134197
[2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117131748
methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129737
7-bromo-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83844620
2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134200
2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117136569
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117134101
7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135581
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
methyl 2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134357
2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-7-amine
CID 117134191

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117134207) is 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)N1CCCC1c1nc2cc(Br)ccn2n1.
What is the InChIKey of 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XFAKVPSOHYKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9(2)17-6-3-4-11(17)13-15-12-8-10(14)5-7-18(12)16-13/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 309.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117134207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).