N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine

C11H15N3O — CID 103374443

IUPACN-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine
SMILESC#CCC(NCC)c1ccc(OC)nn1
InChIInChI=1S/C11H15N3O/c1-4-6-9(12-5-2)10-7-8-11(15-3)14-13-10/h1,7-9,12H,5-6H2,2-3H3
InChIKeyUDIJSZJCBXZSPE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.16
Rot. Bonds5

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

N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine (PubChem CID 103374443) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine
PubChem CID103374443
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine
SMILESC#CCC(NCC)c1ccc(OC)nn1
InChIInChI=1S/C11H15N3O/c1-4-6-9(12-5-2)10-7-8-11(15-3)14-13-10/h1,7-9,12H,5-6H2,2-3H3
InChIKeyUDIJSZJCBXZSPE-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
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-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine
CID 103374480
N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374401
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
N-ethyl-1-(3-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 114977449
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103374498
N-[(6-methoxypyridazin-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 103374514

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine?
The IUPAC name of N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine (CID 103374443) is N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine is C#CCC(NCC)c1ccc(OC)nn1.
What is the InChIKey of N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine?
The InChIKey is UDIJSZJCBXZSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-6-9(12-5-2)10-7-8-11(15-3)14-13-10/h1,7-9,12H,5-6H2,2-3H3.
What are the key properties of N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine?
N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine is sourced from PubChem (CID 103374443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).