2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one

C13H22N4O2 — CID 103219538

IUPAC2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC2CN(C)CCO2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-10(2)15-11-6-13(18)17(14-7-11)9-12-8-16(3)4-5-19-12/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyYJBJKKBAQGRQQU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.39
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one

2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219538) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219538
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC2CN(C)CCO2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-10(2)15-11-6-13(18)17(14-7-11)9-12-8-16(3)4-5-19-12/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyYJBJKKBAQGRQQU-UHFFFAOYSA-N
XLogP0.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylbutanamide
CID 91911848
2-Ethyl-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}butanamide
CID 91911849
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylpropanamide
CID 91924078
2-Methoxy-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}acetamide
CID 91924087

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one (CID 103219538) is 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CC2CN(C)CCO2)c(=O)c1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is YJBJKKBAQGRQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)15-11-6-13(18)17(14-7-11)9-12-8-16(3)4-5-19-12/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one?
2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).