4-(6-thiophen-2-ylpyridazin-3-yl)morpholine

C12H13N3OS — CID 20970001

IUPAC4-(6-thiophen-2-ylpyridazin-3-yl)morpholine
SMILESc1csc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C12H13N3OS/c1-2-11(17-9-1)10-3-4-12(14-13-10)15-5-7-16-8-6-15/h1-4,9H,5-8H2
InChIKeyXKFMDXZXOWHIOX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.04
Rot. Bonds2

About 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine

4-(6-thiophen-2-ylpyridazin-3-yl)morpholine (PubChem CID 20970001) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine.

Molecular Properties

Compound Name4-(6-thiophen-2-ylpyridazin-3-yl)morpholine
PubChem CID20970001
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(6-thiophen-2-ylpyridazin-3-yl)morpholine
SMILESc1csc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C12H13N3OS/c1-2-11(17-9-1)10-3-4-12(14-13-10)15-5-7-16-8-6-15/h1-4,9H,5-8H2
InChIKeyXKFMDXZXOWHIOX-UHFFFAOYSA-N
XLogP2.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine?
The IUPAC name of 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine (CID 20970001) is 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine.
What is the SMILES notation for 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine?
The canonical SMILES for 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine is c1csc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine?
The InChIKey is XKFMDXZXOWHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-11(17-9-1)10-3-4-12(14-13-10)15-5-7-16-8-6-15/h1-4,9H,5-8H2.
What are the key properties of 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine?
4-(6-thiophen-2-ylpyridazin-3-yl)morpholine has a molecular weight of 247.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-thiophen-2-ylpyridazin-3-yl)morpholine is sourced from PubChem (CID 20970001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).