1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine

C12H17N3 — CID 105158444

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1cc(C)nnc1C
InChIInChI=1S/C12H17N3/c1-5-7-13-12(6-2)11-8-9(3)14-15-10(11)4/h2,8,12-13H,5,7H2,1,3-4H3
InChIKeyJFXWALQJJDYIFO-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.77
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine

1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine (PubChem CID 105158444) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine
PubChem CID105158444
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1cc(C)nnc1C
InChIInChI=1S/C12H17N3/c1-5-7-13-12(6-2)11-8-9(3)14-15-10(11)4/h2,8,12-13H,5,7H2,1,3-4H3
InChIKeyJFXWALQJJDYIFO-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-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-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
CID 105165710
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163793
1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine
CID 105158343
N-[(3,6-dimethylpyridazin-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105119145
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100685
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylprop-2-yn-1-amine
CID 105158193
1-(2-methoxy-4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 106792543
N-[(3,6-dimethylpyridazin-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143284
N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155357
1-(3-ethyl-6-methylpyridazin-4-yl)prop-2-ynylhydrazine
CID 105315660

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine (CID 105158444) is 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine?
The InChIKey is JFXWALQJJDYIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-5-7-13-12(6-2)11-8-9(3)14-15-10(11)4/h2,8,12-13H,5,7H2,1,3-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine has a molecular weight of 203.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 105158444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).