5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile

C15H23N5 — CID 80509789

IUPAC5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCN2CCCC2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-3-12-13(11-16)15(19-18-14(12)4-2)17-7-10-20-8-5-6-9-20/h3-10H2,1-2H3,(H,17,19)
InChIKeyFOOWJQUBKMKHSZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.98
Rot. Bonds6

About 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile (PubChem CID 80509789) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
PubChem CID80509789
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCN2CCCC2)c(C#N)c1CC
InChIInChI=1S/C15H23N5/c1-3-12-13(11-16)15(19-18-14(12)4-2)17-7-10-20-8-5-6-9-20/h3-10H2,1-2H3,(H,17,19)
InChIKeyFOOWJQUBKMKHSZ-UHFFFAOYSA-N
XLogP1.98
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile (CID 80509789) is 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile is CCc1nnc(NCCN2CCCC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile?
The InChIKey is FOOWJQUBKMKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-12-13(11-16)15(19-18-14(12)4-2)17-7-10-20-8-5-6-9-20/h3-10H2,1-2H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).