5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C10H11ClN4 — CID 84750927

IUPAC5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2nc(C3CCCN3)nn12
InChIInChI=1S/C10H11ClN4/c11-8-4-1-5-9-13-10(14-15(8)9)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2
InChIKeyWHJZSDUNJRKQND-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.81
Rot. Bonds1

About 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 84750927) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID84750927
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2nc(C3CCCN3)nn12
InChIInChI=1S/C10H11ClN4/c11-8-4-1-5-9-13-10(14-15(8)9)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2
InChIKeyWHJZSDUNJRKQND-UHFFFAOYSA-N
XLogP1.81
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117131974
5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131935
5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131179
2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83840524
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131417
3-chloro-2-pyrrolidin-2-ylimidazo[1,2-a]pyridine
CID 84687270
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
(2-pyrrolidin-2-ylimidazo[1,2-a]pyridin-5-yl)methanamine
CID 117131741
2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine
CID 58029367
2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
CID 130612938
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 84750927) is 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccc2nc(C3CCCN3)nn12.
What is the InChIKey of 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WHJZSDUNJRKQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-8-4-1-5-9-13-10(14-15(8)9)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2.
What are the key properties of 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 222.68 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 84750927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).