5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one

C11H16N4O — CID 103223366

IUPAC5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one
SMILESC#CCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C11H16N4O/c1-3-4-6-15-11(16)8-10(9-13-15)14(2)7-5-12/h1,8-9H,4-7,12H2,2H3
InChIKeyUQDZVGROYOLAGU-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.34
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one (PubChem CID 103223366) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one
PubChem CID103223366
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one
SMILESC#CCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C11H16N4O/c1-3-4-6-15-11(16)8-10(9-13-15)14(2)7-5-12/h1,8-9H,4-7,12H2,2H3
InChIKeyUQDZVGROYOLAGU-UHFFFAOYSA-N
XLogP-0.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one (CID 103223366) is 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one is C#CCCn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one?
The InChIKey is UQDZVGROYOLAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-4-6-15-11(16)8-10(9-13-15)14(2)7-5-12/h1,8-9H,4-7,12H2,2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one has a molecular weight of 220.28 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-but-3-ynylpyridazin-3-one is sourced from PubChem (CID 103223366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).