3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile

C11H14N4S — CID 80509567

IUPAC3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
SMILESCC1CN(c2nnccc2C#N)CC(C)S1
InChIInChI=1S/C11H14N4S/c1-8-6-15(7-9(2)16-8)11-10(5-12)3-4-13-14-11/h3-4,8-9H,6-7H2,1-2H3
InChIKeyXFCRSQOMFDLZHI-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.68
Rot. Bonds1

About 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile

3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile (PubChem CID 80509567) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
PubChem CID80509567
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
SMILESCC1CN(c2nnccc2C#N)CC(C)S1
InChIInChI=1S/C11H14N4S/c1-8-6-15(7-9(2)16-8)11-10(5-12)3-4-13-14-11/h3-4,8-9H,6-7H2,1-2H3
InChIKeyXFCRSQOMFDLZHI-UHFFFAOYSA-N
XLogP1.68
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 114536895
1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
CID 80508256
3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 126900417
2-(2,6-dimethylthiomorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79034216
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
3-piperazin-1-ylpyridazine-4-carbonitrile
CID 80507407
3-(1,3-dihydroisoindol-2-yl)pyridazine-4-carbonitrile
CID 80509508
3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 80516202
4-(4-cyanopyridazin-3-yl)morpholine-2-carbonitrile
CID 80508208
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carboximidamide
CID 80513468
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile (CID 80509567) is 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile is CC1CN(c2nnccc2C#N)CC(C)S1.
What is the InChIKey of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile?
The InChIKey is XFCRSQOMFDLZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-6-15(7-9(2)16-8)11-10(5-12)3-4-13-14-11/h3-4,8-9H,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile?
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile has a molecular weight of 234.33 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).