5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

C14H19N5 — CID 103198311

IUPAC5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCCC3CNCC32)n2ncnc2c1
InChIInChI=1S/C14H19N5/c1-10-5-13-16-9-17-19(13)14(6-10)18-4-2-3-11-7-15-8-12(11)18/h5-6,9,11-12,15H,2-4,7-8H2,1H3
InChIKeyNAAWRUIAEGICHR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.23
Rot. Bonds1

About 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 103198311) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID103198311
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCCC3CNCC32)n2ncnc2c1
InChIInChI=1S/C14H19N5/c1-10-5-13-16-9-17-19(13)14(6-10)18-4-2-3-11-7-15-8-12(11)18/h5-6,9,11-12,15H,2-4,7-8H2,1H3
InChIKeyNAAWRUIAEGICHR-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

7-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103198220
7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 62673191
7-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 43664984
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbaldehyde
CID 62662923
1-pyrimidin-4-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103198177
1-[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidin-4-yl]ethanamine
CID 63596607
1-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103198233
[1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-3-yl]methanol
CID 62370632
1-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793376
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103198299
8-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 103198327
1-[1-(2,4,6-trimethylphenyl)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678095

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 103198311) is 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(N2CCCC3CNCC32)n2ncnc2c1.
What is the InChIKey of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NAAWRUIAEGICHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-5-13-16-9-17-19(13)14(6-10)18-4-2-3-11-7-15-8-12(11)18/h5-6,9,11-12,15H,2-4,7-8H2,1H3.
What are the key properties of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 257.34 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 103198311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).