N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C12H21ClN4 — CID 102996042

IUPACN'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccc(CCl)nn1
InChIInChI=1S/C12H21ClN4/c1-4-17(9-5-8-16(2)3)12-7-6-11(10-13)14-15-12/h6-7H,4-5,8-10H2,1-3H3
InChIKeyARDDLFGCGDAOAD-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.99
Rot. Bonds7

About N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102996042) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102996042
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccc(CCl)nn1
InChIInChI=1S/C12H21ClN4/c1-4-17(9-5-8-16(2)3)12-7-6-11(10-13)14-15-12/h6-7H,4-5,8-10H2,1-3H3
InChIKeyARDDLFGCGDAOAD-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine 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-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102996042) is N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1ccc(CCl)nn1.
What is the InChIKey of N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is ARDDLFGCGDAOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-17(9-5-8-16(2)3)12-7-6-11(10-13)14-15-12/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102996042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).