2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C12H17N3O2 — CID 114396760

IUPAC2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESC#CCCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C12H17N3O2/c1-4-5-6-15-12(16)9-11(10-13-15)14(2)7-8-17-3/h1,9-10H,5-8H2,2-3H3
InChIKeyQCCXFTKGCVUBRS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.35
Rot. Bonds6

About 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114396760) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114396760
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESC#CCCn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C12H17N3O2/c1-4-5-6-15-12(16)9-11(10-13-15)14(2)7-8-17-3/h1,9-10H,5-8H2,2-3H3
InChIKeyQCCXFTKGCVUBRS-UHFFFAOYSA-N
XLogP0.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396759
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564
2-(3-azidopropyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396847
6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 114393962
5-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanenitrile
CID 114395684
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanethioamide
CID 114395807
2-(5-amino-4,4-dimethylpentyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393723
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395681
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
CID 114398501

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114396760) is 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is C#CCCn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is QCCXFTKGCVUBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-5-6-15-12(16)9-11(10-13-15)14(2)7-8-17-3/h1,9-10H,5-8H2,2-3H3.
What are the key properties of 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).