3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

C14H20N4 — CID 83227031

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCC1CCC(C)N1c1nnc(C)c(C)c1C#N
InChIInChI=1S/C14H20N4/c1-5-12-7-6-9(2)18(12)14-13(8-15)10(3)11(4)16-17-14/h9,12H,5-7H2,1-4H3
InChIKeyOGHNUNLKBGPOBJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds2

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 83227031) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID83227031
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCC1CCC(C)N1c1nnc(C)c(C)c1C#N
InChIInChI=1S/C14H20N4/c1-5-12-7-6-9(2)18(12)14-13(8-15)10(3)11(4)16-17-14/h9,12H,5-7H2,1-4H3
InChIKeyOGHNUNLKBGPOBJ-UHFFFAOYSA-N
XLogP2.73
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (CID 83227031) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is CCC1CCC(C)N1c1nnc(C)c(C)c1C#N.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is OGHNUNLKBGPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-12-7-6-9(2)18(12)14-13(8-15)10(3)11(4)16-17-14/h9,12H,5-7H2,1-4H3.
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 83227031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).