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

C13H18N4 — CID 83840524

IUPAC2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2cccc(C3CCCN3)n2n1
InChIInChI=1S/C13H18N4/c1-9(2)13-15-12-7-3-6-11(17(12)16-13)10-5-4-8-14-10/h3,6-7,9-10,14H,4-5,8H2,1-2H3
InChIKeyQWCASMOKLDLKKG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds2

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

2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83840524) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83840524
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2cccc(C3CCCN3)n2n1
InChIInChI=1S/C13H18N4/c1-9(2)13-15-12-7-3-6-11(17(12)16-13)10-5-4-8-14-10/h3,6-7,9-10,14H,4-5,8H2,1-2H3
InChIKeyQWCASMOKLDLKKG-UHFFFAOYSA-N
XLogP2.28
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 83840524) is 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1nc2cccc(C3CCCN3)n2n1.
What is the InChIKey of 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QWCASMOKLDLKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)13-15-12-7-3-6-11(17(12)16-13)10-5-4-8-14-10/h3,6-7,9-10,14H,4-5,8H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83840524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).