5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one

C15H22N4O2 — CID 56882486

IUPAC5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one
SMILESCCC#CCn1ncc(N2CCOC(CCN)C2)cc1=O
InChIInChI=1S/C15H22N4O2/c1-2-3-4-7-19-15(20)10-13(11-17-19)18-8-9-21-14(12-18)5-6-16/h10-11,14H,2,5-9,12,16H2,1H3
InChIKeyUZFOROBQUSEALV-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.21
Rot. Bonds4

About 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one

5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one (PubChem CID 56882486) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one
PubChem CID56882486
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one
SMILESCCC#CCn1ncc(N2CCOC(CCN)C2)cc1=O
InChIInChI=1S/C15H22N4O2/c1-2-3-4-7-19-15(20)10-13(11-17-19)18-8-9-21-14(12-18)5-6-16/h10-11,14H,2,5-9,12,16H2,1H3
InChIKeyUZFOROBQUSEALV-UHFFFAOYSA-N
XLogP0.21
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}acetamide
CID 56898251
N-(tert-butyl)-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}urea
CID 70717227
Propyl {2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}carbamate
CID 70730611
1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}cyclopropanecarboxamide
CID 56885150
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
N,N-dimethyl-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}sulfamide
CID 70781144
3,3,3-trifluoro-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56885431
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709508
3,3,3-trifluoro-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709509
5-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725139
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725140

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one?
The IUPAC name of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one (CID 56882486) is 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one.
What is the SMILES notation for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one?
The canonical SMILES for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one is CCC#CCn1ncc(N2CCOC(CCN)C2)cc1=O.
What is the InChIKey of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one?
The InChIKey is UZFOROBQUSEALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-3-4-7-19-15(20)10-13(11-17-19)18-8-9-21-14(12-18)5-6-16/h10-11,14H,2,5-9,12,16H2,1H3.
What are the key properties of 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one?
5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one is sourced from PubChem (CID 56882486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).