3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile

C13H18N4O — CID 42949502

IUPAC3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCC1CN(c2nnc(C)c(C)c2C#N)CCO1
InChIInChI=1S/C13H18N4O/c1-4-11-8-17(5-6-18-11)13-12(7-14)9(2)10(3)15-16-13/h11H,4-6,8H2,1-3H3
InChIKeyDFLXDGVAZTVCBM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds2

About 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile

3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 42949502) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID42949502
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCC1CN(c2nnc(C)c(C)c2C#N)CCO1
InChIInChI=1S/C13H18N4O/c1-4-11-8-17(5-6-18-11)13-12(7-14)9(2)10(3)15-16-13/h11H,4-6,8H2,1-3H3
InChIKeyDFLXDGVAZTVCBM-UHFFFAOYSA-N
XLogP1.58
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile (CID 42949502) is 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile is CCC1CN(c2nnc(C)c(C)c2C#N)CCO1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is DFLXDGVAZTVCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-11-8-17(5-6-18-11)13-12(7-14)9(2)10(3)15-16-13/h11H,4-6,8H2,1-3H3.
What are the key properties of 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile?
3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 42949502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).