2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

C14H19N5 — CID 115314720

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(N3CCC4CCC(C3)N4)nn12
InChIInChI=1S/C14H19N5/c1-10-3-2-4-13-16-14(17-19(10)13)18-8-7-11-5-6-12(9-18)15-11/h2-4,11-12,15H,5-9H2,1H3
InChIKeyKZSKXJPYLRGSGI-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.37
Rot. Bonds1

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 115314720) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID115314720
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(N3CCC4CCC(C3)N4)nn12
InChIInChI=1S/C14H19N5/c1-10-3-2-4-13-16-14(17-19(10)13)18-8-7-11-5-6-12(9-18)15-11/h2-4,11-12,15H,5-9H2,1H3
InChIKeyKZSKXJPYLRGSGI-UHFFFAOYSA-N
XLogP1.37
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 115314720) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc2nc(N3CCC4CCC(C3)N4)nn12.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KZSKXJPYLRGSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-3-2-4-13-16-14(17-19(10)13)18-8-7-11-5-6-12(9-18)15-11/h2-4,11-12,15H,5-9H2,1H3.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 257.34 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 115314720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).