5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

C13H17ClN4 — CID 117131179

IUPAC5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCC(c2nc3cccc(Cl)n3n2)C1
InChIInChI=1S/C13H17ClN4/c1-9(2)17-7-6-10(8-17)13-15-12-5-3-4-11(14)18(12)16-13/h3-5,9-10H,6-8H2,1-2H3
InChIKeyYQJVVTYKIBXJHJ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.58
Rot. Bonds2

About 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117131179) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117131179
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCC(c2nc3cccc(Cl)n3n2)C1
InChIInChI=1S/C13H17ClN4/c1-9(2)17-7-6-10(8-17)13-15-12-5-3-4-11(14)18(12)16-13/h3-5,9-10H,6-8H2,1-2H3
InChIKeyYQJVVTYKIBXJHJ-UHFFFAOYSA-N
XLogP2.58
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128858
2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133557
[2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117133485
5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84750927
methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133589
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
[2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129335
2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117134101
2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117128935
6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one
CID 117260542
2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117156443
2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117131179) is 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)N1CCC(c2nc3cccc(Cl)n3n2)C1.
What is the InChIKey of 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YQJVVTYKIBXJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-9(2)17-7-6-10(8-17)13-15-12-5-3-4-11(14)18(12)16-13/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117131179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).