1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole

C10H15N3 — CID 45099676

IUPAC1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
SMILESC1CCc2c(nn3c2CNCC3)C1
InChIInChI=1S/C10H15N3/c1-2-4-9-8(3-1)10-7-11-5-6-13(10)12-9/h11H,1-7H2
InChIKeyKQSLFBRHFLYNOD-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.87
Rot. Bonds

About 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole

1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole (PubChem CID 45099676) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
PubChem CID45099676
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole
SMILESC1CCc2c(nn3c2CNCC3)C1
InChIInChI=1S/C10H15N3/c1-2-4-9-8(3-1)10-7-11-5-6-13(10)12-9/h11H,1-7H2
InChIKeyKQSLFBRHFLYNOD-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole 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 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
The IUPAC name of 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole (CID 45099676) is 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
The canonical SMILES for 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole is C1CCc2c(nn3c2CNCC3)C1.
What is the InChIKey of 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
The InChIKey is KQSLFBRHFLYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-4-9-8(3-1)10-7-11-5-6-13(10)12-9/h11H,1-7H2.
What are the key properties of 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole?
1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole has a molecular weight of 177.25 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8,9,10-octahydropyrazino[1,2-b]indazole is sourced from PubChem (CID 45099676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).