4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one

C17H20N4O2 — CID 6410665

IUPAC4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1=O
InChIInChI=1S/C17H20N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-7-8-21-9-10-23-12-16(21)22/h2-6,11H,7-10,12H2,1H3,(H,18,20)
InChIKeyVXNMQXYYYJPECK-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.72
Rot. Bonds5

About 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one

4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one (PubChem CID 6410665) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one
PubChem CID6410665
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCOCC1=O
InChIInChI=1S/C17H20N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-7-8-21-9-10-23-12-16(21)22/h2-6,11H,7-10,12H2,1H3,(H,18,20)
InChIKeyVXNMQXYYYJPECK-UHFFFAOYSA-N
XLogP1.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one?
The IUPAC name of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one (CID 6410665) is 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one is Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1=O.
What is the InChIKey of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one?
The InChIKey is VXNMQXYYYJPECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-7-8-21-9-10-23-12-16(21)22/h2-6,11H,7-10,12H2,1H3,(H,18,20).
What are the key properties of 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one?
4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one has a molecular weight of 312.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methyl-6-phenylpyridazin-3-yl)amino]ethyl]morpholin-3-one is sourced from PubChem (CID 6410665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).