2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide

C13H16N4O3 — CID 114396751

IUPAC2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H16N4O3/c1-2-3-14-12(18)10-17-13(19)8-11(9-15-17)16-4-6-20-7-5-16/h1,8-9H,3-7,10H2,(H,14,18)
InChIKeyLUEAQYQNZRYENN-UHFFFAOYSA-N
MW276.30 g/mol
LogP-1.17
Rot. Bonds4

About 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide

2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide (PubChem CID 114396751) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide
PubChem CID114396751
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H16N4O3/c1-2-3-14-12(18)10-17-13(19)8-11(9-15-17)16-4-6-20-7-5-16/h1,8-9H,3-7,10H2,(H,14,18)
InChIKeyLUEAQYQNZRYENN-UHFFFAOYSA-N
XLogP-1.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide with MolForge

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Related Compounds

2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-prop-2-ynylacetamide
CID 114396762
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
CID 114395789
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
2-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397080
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide (CID 114396751) is 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is LUEAQYQNZRYENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-3-14-12(18)10-17-13(19)8-11(9-15-17)16-4-6-20-7-5-16/h1,8-9H,3-7,10H2,(H,14,18).
What are the key properties of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide?
2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 276.30 g/mol, XLogP of -1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 114396751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).