N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine

C13H19N5 — CID 62351659

IUPACN-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cnc(C)c2C)nn1
InChIInChI=1S/C13H19N5/c1-4-7-14-8-12-5-6-13(17-16-12)18-9-15-10(2)11(18)3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyMPPHACIYYJZTQT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds5

About N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62351659) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62351659
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2cnc(C)c2C)nn1
InChIInChI=1S/C13H19N5/c1-4-7-14-8-12-5-6-13(17-16-12)18-9-15-10(2)11(18)3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyMPPHACIYYJZTQT-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-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

Related Compounds

N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754
N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62294737
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62282587
N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62350576
4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine
CID 80856704
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
N-[[4-chloro-2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 114854519
N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63160096
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62285071

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine (CID 62351659) is N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(-n2cnc(C)c2C)nn1.
What is the InChIKey of N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is MPPHACIYYJZTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-7-14-8-12-5-6-13(17-16-12)18-9-15-10(2)11(18)3/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62351659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).