N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine

C20H26N4 — CID 11723664

IUPACN-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine
SMILESCc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1
InChIInChI=1S/C20H26N4/c1-15-14-19(22-23-20(15)16-6-3-2-4-7-16)21-12-13-24-17-8-5-9-18(24)11-10-17/h2-4,6-7,14,17-18H,5,8-13H2,1H3,(H,21,22)
InChIKeyNBEPNANMOZKJJA-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine

N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine (PubChem CID 11723664) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine
PubChem CID11723664
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine
SMILESCc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1
InChIInChI=1S/C20H26N4/c1-15-14-19(22-23-20(15)16-6-3-2-4-7-16)21-12-13-24-17-8-5-9-18(24)11-10-17/h2-4,6-7,14,17-18H,5,8-13H2,1H3,(H,21,22)
InChIKeyNBEPNANMOZKJJA-UHFFFAOYSA-N
XLogP3.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine 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 N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine (CID 11723664) is N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine is Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine?
The InChIKey is NBEPNANMOZKJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-15-14-19(22-23-20(15)16-6-3-2-4-7-16)21-12-13-24-17-8-5-9-18(24)11-10-17/h2-4,6-7,14,17-18H,5,8-13H2,1H3,(H,21,22).
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine?
N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine has a molecular weight of 322.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]-5-methyl-6-phenylpyridazin-3-amine is sourced from PubChem (CID 11723664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).