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

C13H18N6 — CID 103198327

IUPAC8-(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
SMILESCc1nnc2c(N3CCCC4CNCC43)nccn12
InChIInChI=1S/C13H18N6/c1-9-16-17-13-12(15-4-6-18(9)13)19-5-2-3-10-7-14-8-11(10)19/h4,6,10-11,14H,2-3,5,7-8H2,1H3
InChIKeyLAZNPLBGVNMPTA-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.62
Rot. Bonds1

About 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

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 (PubChem CID 103198327) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID103198327
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name8-(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
SMILESCc1nnc2c(N3CCCC4CNCC43)nccn12
InChIInChI=1S/C13H18N6/c1-9-16-17-13-12(15-4-6-18(9)13)19-5-2-3-10-7-14-8-11(10)19/h4,6,10-11,14H,2-3,5,7-8H2,1H3
InChIKeyLAZNPLBGVNMPTA-UHFFFAOYSA-N
XLogP0.62
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2c(N3CCCC4CNCC43)nccn12.
What is the InChIKey of 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?
The InChIKey is LAZNPLBGVNMPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-16-17-13-12(15-4-6-18(9)13)19-5-2-3-10-7-14-8-11(10)19/h4,6,10-11,14H,2-3,5,7-8H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 258.33 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 103198327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).