4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one

C11H16BrN3O2 — CID 133303387

IUPAC4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCOC(C)(C)C2)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-11(2)7-15(4-5-17-11)8-6-13-14(3)10(16)9(8)12/h6H,4-5,7H2,1-3H3
InChIKeyPQKWMBWALOJGQD-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.16
Rot. Bonds1

About 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one

4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one (PubChem CID 133303387) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one
PubChem CID133303387
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCOC(C)(C)C2)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-11(2)7-15(4-5-17-11)8-6-13-14(3)10(16)9(8)12/h6H,4-5,7H2,1-3H3
InChIKeyPQKWMBWALOJGQD-UHFFFAOYSA-N
XLogP1.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one (CID 133303387) is 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one is Cn1ncc(N2CCOC(C)(C)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one?
The InChIKey is PQKWMBWALOJGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-11(2)7-15(4-5-17-11)8-6-13-14(3)10(16)9(8)12/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one?
4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one has a molecular weight of 302.17 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 133303387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).