N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine

C13H22ClN3 — CID 104513592

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1ccc(Cl)nn1
InChIInChI=1S/C13H22ClN3/c1-4-11(5-2)9-17(6-3)10-12-7-8-13(14)16-15-12/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZDUIFGHINNFJRM-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.39
Rot. Bonds7

About N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine

N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine (PubChem CID 104513592) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine
PubChem CID104513592
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1ccc(Cl)nn1
InChIInChI=1S/C13H22ClN3/c1-4-11(5-2)9-17(6-3)10-12-7-8-13(14)16-15-12/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZDUIFGHINNFJRM-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-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-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine (CID 104513592) is N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine is CCC(CC)CN(CC)Cc1ccc(Cl)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine?
The InChIKey is ZDUIFGHINNFJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-11(5-2)9-17(6-3)10-12-7-8-13(14)16-15-12/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine?
N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 104513592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).