N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine

C9H16N4 — CID 104670151

IUPACN-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine
SMILESCCNCCNCc1ccnnc1
InChIInChI=1S/C9H16N4/c1-2-10-5-6-11-7-9-3-4-12-13-8-9/h3-4,8,10-11H,2,5-7H2,1H3
InChIKeyOIAIBHISNVJXAV-UHFFFAOYSA-N
MW180.26 g/mol
LogP0.18
Rot. Bonds6

About N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine

N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 104670151) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine
PubChem CID104670151
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC NameN-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine
SMILESCCNCCNCc1ccnnc1
InChIInChI=1S/C9H16N4/c1-2-10-5-6-11-7-9-3-4-12-13-8-9/h3-4,8,10-11H,2,5-7H2,1H3
InChIKeyOIAIBHISNVJXAV-UHFFFAOYSA-N
XLogP0.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridazin-4-ylmethyl)ethanamine
CID 89018615
N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine
CID 104670165
1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104670189
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 165457032
(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104867606
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
N-(pyridazin-4-ylmethyl)cyclohexanamine
CID 104670108
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine (CID 104670151) is N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine is CCNCCNCc1ccnnc1.
What is the InChIKey of N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is OIAIBHISNVJXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-10-5-6-11-7-9-3-4-12-13-8-9/h3-4,8,10-11H,2,5-7H2,1H3.
What are the key properties of N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine?
N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 180.26 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 104670151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).