[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone

C14H22N4O3 — CID 81212909

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CC(CO)OCC2C)nn1
InChIInChI=1S/C14H22N4O3/c1-3-6-15-13-5-4-12(16-17-13)14(20)18-7-11(8-19)21-9-10(18)2/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyNFJUXFBQBHYOCE-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.52
Rot. Bonds5

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone (PubChem CID 81212909) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone
PubChem CID81212909
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone
SMILESCCCNc1ccc(C(=O)N2CC(CO)OCC2C)nn1
InChIInChI=1S/C14H22N4O3/c1-3-6-15-13-5-4-12(16-17-13)14(20)18-7-11(8-19)21-9-10(18)2/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyNFJUXFBQBHYOCE-UHFFFAOYSA-N
XLogP0.52
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81240813
[6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596505
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 81208343
(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203507
(2,6-dimethylpiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62173358
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107376366
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107376367
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 105387018
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone (CID 81212909) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone is CCCNc1ccc(C(=O)N2CC(CO)OCC2C)nn1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone?
The InChIKey is NFJUXFBQBHYOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-6-15-13-5-4-12(16-17-13)14(20)18-7-11(8-19)21-9-10(18)2/h4-5,10-11,19H,3,6-9H2,1-2H3,(H,15,17).
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone has a molecular weight of 294.36 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 81212909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).