1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine

C13H19N3O — CID 103374699

IUPAC1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc(OC)nn1
InChIInChI=1S/C13H19N3O/c1-4-6-7-11(14-10-5-2)12-8-9-13(17-3)16-15-12/h8-9,11,14H,5,7,10H2,1-3H3
InChIKeyUJVHRWISOQOEGE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds6

About 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine

1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine (PubChem CID 103374699) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
PubChem CID103374699
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc(OC)nn1
InChIInChI=1S/C13H19N3O/c1-4-6-7-11(14-10-5-2)12-8-9-13(17-3)16-15-12/h8-9,11,14H,5,7,10H2,1-3H3
InChIKeyUJVHRWISOQOEGE-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-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

1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
CID 103374819
N-ethyl-1-(6-methoxypyridazin-3-yl)hex-4-yn-1-amine
CID 103374605
N-[1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103374753
N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine
CID 103374443
N-propyl-1-quinolin-2-ylpent-3-yn-1-amine
CID 63222561
N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
CID 103374768
N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 103374746
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 103374852
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine (CID 103374699) is 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1ccc(OC)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine?
The InChIKey is UJVHRWISOQOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-6-7-11(14-10-5-2)12-8-9-13(17-3)16-15-12/h8-9,11,14H,5,7,10H2,1-3H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine?
1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine has a molecular weight of 233.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 103374699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).