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

C13H18N4 — CID 117128858

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCC(c2nc3ccccn3n2)C1
InChIInChI=1S/C13H18N4/c1-10(2)16-8-6-11(9-16)13-14-12-5-3-4-7-17(12)15-13/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyPITBBOSTDSAYHB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds2

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

2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117128858) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117128858
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCC(c2nc3ccccn3n2)C1
InChIInChI=1S/C13H18N4/c1-10(2)16-8-6-11(9-16)13-14-12-5-3-4-7-17(12)15-13/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyPITBBOSTDSAYHB-UHFFFAOYSA-N
XLogP1.93
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131179
methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133589
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-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129335
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117128935
2-(3,7-dimethylcyclononyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 167274416
2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117156443
3-naphthalen-2-yl-1-propan-2-ylpyrrolidine
CID 70971657
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250358

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117128858) is 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)N1CCC(c2nc3ccccn3n2)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PITBBOSTDSAYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)16-8-6-11(9-16)13-14-12-5-3-4-7-17(12)15-13/h3-5,7,10-11H,6,8-9H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117128858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).