4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine

C16H19N3O — CID 46226084

IUPAC4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine
SMILESCc1cccc(-c2ccc(N3CCOCC3)nn2)c1C
InChIInChI=1S/C16H19N3O/c1-12-4-3-5-14(13(12)2)15-6-7-16(18-17-15)19-8-10-20-11-9-19/h3-7H,8-11H2,1-2H3
InChIKeyKGIVZCVESJPSLS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.60
Rot. Bonds2

About 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine

4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine (PubChem CID 46226084) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine
PubChem CID46226084
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine
SMILESCc1cccc(-c2ccc(N3CCOCC3)nn2)c1C
InChIInChI=1S/C16H19N3O/c1-12-4-3-5-14(13(12)2)15-6-7-16(18-17-15)19-8-10-20-11-9-19/h3-7H,8-11H2,1-2H3
InChIKeyKGIVZCVESJPSLS-UHFFFAOYSA-N
XLogP2.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine (CID 46226084) is 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine is Cc1cccc(-c2ccc(N3CCOCC3)nn2)c1C.
What is the InChIKey of 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine?
The InChIKey is KGIVZCVESJPSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-3-5-14(13(12)2)15-6-7-16(18-17-15)19-8-10-20-11-9-19/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine?
4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine has a molecular weight of 269.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3-dimethylphenyl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 46226084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).