5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile

C14H20N4O — CID 80516280

IUPAC5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCC2CCCN2)c(C#N)c1CC
InChIInChI=1S/C14H20N4O/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-9-10-6-5-7-16-10/h10,16H,3-7,9H2,1-2H3
InChIKeyQSERJPHDDCUSJV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.60
Rot. Bonds5

About 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile (PubChem CID 80516280) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
PubChem CID80516280
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCC2CCCN2)c(C#N)c1CC
InChIInChI=1S/C14H20N4O/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-9-10-6-5-7-16-10/h10,16H,3-7,9H2,1-2H3
InChIKeyQSERJPHDDCUSJV-UHFFFAOYSA-N
XLogP1.60
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile
CID 80515482
5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516247
5,6-dimethyl-3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516526
5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 114469309
5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile
CID 80505942
5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
CID 80510752
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
CID 62348215
5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile
CID 80506117
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
CID 80510168
5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 80515022
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile (CID 80516280) is 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile is CCc1nnc(OCC2CCCN2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The InChIKey is QSERJPHDDCUSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-9-10-6-5-7-16-10/h10,16H,3-7,9H2,1-2H3.
What are the key properties of 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80516280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).