4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one

C12H19ClN4O2 — CID 12919581

IUPAC4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one
SMILESCn1ncc(NCCCN2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-16-12(18)11(13)10(9-15-16)14-3-2-4-17-5-7-19-8-6-17/h9,14H,2-8H2,1H3
InChIKeyBMCKNDGSMMOVOX-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.57
Rot. Bonds5

About 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one

4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one (PubChem CID 12919581) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one
PubChem CID12919581
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one
SMILESCn1ncc(NCCCN2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-16-12(18)11(13)10(9-15-16)14-3-2-4-17-5-7-19-8-6-17/h9,14H,2-8H2,1H3
InChIKeyBMCKNDGSMMOVOX-UHFFFAOYSA-N
XLogP0.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3(2H)-Pyridazinone, 4-chloro-2-methyl-5-morpholino-
CID 120991
4-chloro-2-ethyl-5-morpholino-3(2H)-pyridazinone
CID 2769265
4-Chloro-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one
CID 8057286
4-chloro-5-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-yl)pyridazin-3(2H)-one
CID 17582703
US10239861, Example 30
CID 121472621
4-Chloro-5-(2-ethylmorpholin-4-yl)-2-methylpyridazin-3-one
CID 42958438
4-chloro-5-{[2-(4-morpholinyl)ethyl]amino}-3(2H)-pyridazinone
CID 734448
2-Tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
CID 117094767
US10239861, Example 31
CID 121472662
4-(Aminomethyl)-2-methyl-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 46848992
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-propylpyridazin-3-one
CID 105913105
2-Butyl-4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]pyridazin-3-one
CID 105913143

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one (CID 12919581) is 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one is Cn1ncc(NCCCN2CCOCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one?
The InChIKey is BMCKNDGSMMOVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-16-12(18)11(13)10(9-15-16)14-3-2-4-17-5-7-19-8-6-17/h9,14H,2-8H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one has a molecular weight of 286.76 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(3-morpholin-4-ylpropylamino)pyridazin-3-one is sourced from PubChem (CID 12919581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).