3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile

C13H18N4O2 — CID 106669370

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CC(O)C(O)C2)c(C#N)c1CC
InChIInChI=1S/C13H18N4O2/c1-3-8-9(5-14)13(16-15-10(8)4-2)17-6-11(18)12(19)7-17/h11-12,18-19H,3-4,6-7H2,1-2H3
InChIKeyJKQDXWLCXOWTFR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.01
Rot. Bonds3

About 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile

3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 106669370) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID106669370
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CC(O)C(O)C2)c(C#N)c1CC
InChIInChI=1S/C13H18N4O2/c1-3-8-9(5-14)13(16-15-10(8)4-2)17-6-11(18)12(19)7-17/h11-12,18-19H,3-4,6-7H2,1-2H3
InChIKeyJKQDXWLCXOWTFR-UHFFFAOYSA-N
XLogP0.01
TPSA93.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile (CID 106669370) is 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N2CC(O)C(O)C2)c(C#N)c1CC.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is JKQDXWLCXOWTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-8-9(5-14)13(16-15-10(8)4-2)17-6-11(18)12(19)7-17/h11-12,18-19H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 106669370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).