1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine

C14H21N3O — CID 103374819

IUPAC1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc(OC)nn1
InChIInChI=1S/C14H21N3O/c1-4-6-7-8-12(15-11-5-2)13-9-10-14(18-3)17-16-13/h9-10,12,15H,5,7-8,11H2,1-3H3
InChIKeyBDVLHHVSHQCAIX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds7

About 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine

1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine (PubChem CID 103374819) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
PubChem CID103374819
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc(OC)nn1
InChIInChI=1S/C14H21N3O/c1-4-6-7-8-12(15-11-5-2)13-9-10-14(18-3)17-16-13/h9-10,12,15H,5,7-8,11H2,1-3H3
InChIKeyBDVLHHVSHQCAIX-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
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-propylhex-4-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-ethyl-1-(6-methoxypyridazin-3-yl)hex-4-yn-1-amine
CID 103374605
1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
CID 103374699
N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
N-[1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103374753
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 103374746
N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
CID 103374768
N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine
CID 105181551
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 104806958
1-(3,4-difluorophenyl)-N-propylhex-4-yn-1-amine
CID 104804644

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine (CID 103374819) is 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)c1ccc(OC)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine?
The InChIKey is BDVLHHVSHQCAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-6-7-8-12(15-11-5-2)13-9-10-14(18-3)17-16-13/h9-10,12,15H,5,7-8,11H2,1-3H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine?
1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.33, 7 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-propylhex-4-yn-1-amine is sourced from PubChem (CID 103374819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).