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

C12H13N3OS — CID 71528377

IUPAC4-(6-thiophen-3-ylpyridazin-3-yl)morpholine
SMILESc1cc(-c2ccc(N3CCOCC3)nn2)cs1
InChIInChI=1S/C12H13N3OS/c1-2-12(15-4-6-16-7-5-15)14-13-11(1)10-3-8-17-9-10/h1-3,8-9H,4-7H2
InChIKeyCSIXHLNIMOYWPM-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.04
Rot. Bonds2

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

4-(6-thiophen-3-ylpyridazin-3-yl)morpholine (PubChem CID 71528377) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(6-thiophen-3-ylpyridazin-3-yl)morpholine.

Molecular Properties

Compound Name4-(6-thiophen-3-ylpyridazin-3-yl)morpholine
PubChem CID71528377
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(6-thiophen-3-ylpyridazin-3-yl)morpholine
SMILESc1cc(-c2ccc(N3CCOCC3)nn2)cs1
InChIInChI=1S/C12H13N3OS/c1-2-12(15-4-6-16-7-5-15)14-13-11(1)10-3-8-17-9-10/h1-3,8-9H,4-7H2
InChIKeyCSIXHLNIMOYWPM-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-3-ylpyridazin-3-yl)morpholine?
The IUPAC name of 4-(6-thiophen-3-ylpyridazin-3-yl)morpholine (CID 71528377) is 4-(6-thiophen-3-ylpyridazin-3-yl)morpholine.
What is the SMILES notation for 4-(6-thiophen-3-ylpyridazin-3-yl)morpholine?
The canonical SMILES for 4-(6-thiophen-3-ylpyridazin-3-yl)morpholine is c1cc(-c2ccc(N3CCOCC3)nn2)cs1.
What is the InChIKey of 4-(6-thiophen-3-ylpyridazin-3-yl)morpholine?
The InChIKey is CSIXHLNIMOYWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-12(15-4-6-16-7-5-15)14-13-11(1)10-3-8-17-9-10/h1-3,8-9H,4-7H2.
What are the key properties of 4-(6-thiophen-3-ylpyridazin-3-yl)morpholine?
4-(6-thiophen-3-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-3-ylpyridazin-3-yl)morpholine is sourced from PubChem (CID 71528377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).