3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

C13H18N4O2 — CID 103533404

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOC1CN(c2nnc(C)c(C)c2C#N)CC1OC
InChIInChI=1S/C13H18N4O2/c1-8-9(2)15-16-13(10(8)5-14)17-6-11(18-3)12(7-17)19-4/h11-12H,6-7H2,1-4H3
InChIKeyDKGYLBKWTNDASK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.82
Rot. Bonds3

About 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 103533404) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID103533404
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOC1CN(c2nnc(C)c(C)c2C#N)CC1OC
InChIInChI=1S/C13H18N4O2/c1-8-9(2)15-16-13(10(8)5-14)17-6-11(18-3)12(7-17)19-4/h11-12H,6-7H2,1-4H3
InChIKeyDKGYLBKWTNDASK-UHFFFAOYSA-N
XLogP0.82
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (CID 103533404) is 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is COC1CN(c2nnc(C)c(C)c2C#N)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is DKGYLBKWTNDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-9(2)15-16-13(10(8)5-14)17-6-11(18-3)12(7-17)19-4/h11-12H,6-7H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 103533404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).