2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C13H17N5 — CID 112740371

IUPAC2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1ccn2nc(N3CCC4(CCNC4)C3)nc2c1
InChIInChI=1S/C13H17N5/c1-2-7-18-11(3-1)15-12(16-18)17-8-5-13(10-17)4-6-14-9-13/h1-3,7,14H,4-6,8-10H2
InChIKeyCNXFSRGCCOGXGI-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.92
Rot. Bonds1

About 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 112740371) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID112740371
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1ccn2nc(N3CCC4(CCNC4)C3)nc2c1
InChIInChI=1S/C13H17N5/c1-2-7-18-11(3-1)15-12(16-18)17-8-5-13(10-17)4-6-14-9-13/h1-3,7,14H,4-6,8-10H2
InChIKeyCNXFSRGCCOGXGI-UHFFFAOYSA-N
XLogP0.92
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 112740371) is 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is c1ccn2nc(N3CCC4(CCNC4)C3)nc2c1.
What is the InChIKey of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CNXFSRGCCOGXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-7-18-11(3-1)15-12(16-18)17-8-5-13(10-17)4-6-14-9-13/h1-3,7,14H,4-6,8-10H2.
What are the key properties of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 243.31 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 112740371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).