5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one

C19H26N4O3 — CID 31224894

IUPAC5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one
SMILESNCC[C@H]1CN(c2cnn(CCOCc3ccccc3)c(=O)c2)CCO1
InChIInChI=1S/C19H26N4O3/c20-7-6-18-14-22(8-11-26-18)17-12-19(24)23(21-13-17)9-10-25-15-16-4-2-1-3-5-16/h1-5,12-13,18H,6-11,14-15,20H2/t18-/m0/s1
InChIKeyNHSHMOQWOGNGRP-SFHVURJKSA-N
MW358.44 g/mol
LogP1.01
Rot. Bonds8

About 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one

5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one (PubChem CID 31224894) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one
PubChem CID31224894
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one
SMILESNCC[C@H]1CN(c2cnn(CCOCc3ccccc3)c(=O)c2)CCO1
InChIInChI=1S/C19H26N4O3/c20-7-6-18-14-22(8-11-26-18)17-12-19(24)23(21-13-17)9-10-25-15-16-4-2-1-3-5-16/h1-5,12-13,18H,6-11,14-15,20H2/t18-/m0/s1
InChIKeyNHSHMOQWOGNGRP-SFHVURJKSA-N
XLogP1.01
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3-pyridin-3-ylpropyl)pyridazin-3-one
CID 31193746
2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
CID 82300838
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 143698271
3-[(2S)-4-[5-[(4-chlorophenyl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid;sulfane
CID 167674957
2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
CID 82308317
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
2-[4-[4-(aminomethyl)piperidin-1-yl]-6-oxopyridazin-1-yl]ethyl benzoate
CID 29257700
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
1-amino-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 154895493
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
2-[(2R)-4-(3-pyridin-3-ylpropyl)morpholin-2-yl]ethanamine
CID 124750899

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one (CID 31224894) is 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one is NCC[C@H]1CN(c2cnn(CCOCc3ccccc3)c(=O)c2)CCO1.
What is the InChIKey of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one?
The InChIKey is NHSHMOQWOGNGRP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O3/c20-7-6-18-14-22(8-11-26-18)17-12-19(24)23(21-13-17)9-10-25-15-16-4-2-1-3-5-16/h1-5,12-13,18H,6-11,14-15,20H2/t18-/m0/s1.
What are the key properties of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one?
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one is sourced from PubChem (CID 31224894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).