4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one

C15H17N3O2 — CID 10707245

IUPAC4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(CN2CCOCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O2/c19-14-10-13(11-18-6-8-20-9-7-18)15(17-16-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,16,19)
InChIKeyABDFAZZYDUOHBM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.27
Rot. Bonds3

About 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one

4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 10707245) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID10707245
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(CN2CCOCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H17N3O2/c19-14-10-13(11-18-6-8-20-9-7-18)15(17-16-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,16,19)
InChIKeyABDFAZZYDUOHBM-UHFFFAOYSA-N
XLogP1.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one (CID 10707245) is 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one is O=c1cc(CN2CCOCC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is ABDFAZZYDUOHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14-10-13(11-18-6-8-20-9-7-18)15(17-16-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,16,19).
What are the key properties of 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 271.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 10707245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).