1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine

C14H22N4 — CID 82751652

IUPAC1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC3CCCCC32)nn1
InChIInChI=1S/C14H22N4/c1-15-10-12-6-7-14(17-16-12)18-9-8-11-4-2-3-5-13(11)18/h6-7,11,13,15H,2-5,8-10H2,1H3
InChIKeyNLSDBJZHLJPAKD-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.96
Rot. Bonds3

About 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine

1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 82751652) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine
PubChem CID82751652
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC3CCCCC32)nn1
InChIInChI=1S/C14H22N4/c1-15-10-12-6-7-14(17-16-12)18-9-8-11-4-2-3-5-13(11)18/h6-7,11,13,15H,2-5,8-10H2,1H3
InChIKeyNLSDBJZHLJPAKD-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine 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-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine (CID 82751652) is 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine is CNCc1ccc(N2CCC3CCCCC32)nn1.
What is the InChIKey of 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is NLSDBJZHLJPAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-15-10-12-6-7-14(17-16-12)18-9-8-11-4-2-3-5-13(11)18/h6-7,11,13,15H,2-5,8-10H2,1H3.
What are the key properties of 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 246.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 82751652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).