5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile

C16H24N4 — CID 80510249

IUPAC5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC2C(C)C)c(C#N)c1CC
InChIInChI=1S/C16H24N4/c1-5-12-13(10-17)16(19-18-14(12)6-2)20-9-7-8-15(20)11(3)4/h11,15H,5-9H2,1-4H3
InChIKeyKAIRRACYCBEXSU-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.10
Rot. Bonds4

About 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile

5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 80510249) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile
PubChem CID80510249
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC2C(C)C)c(C#N)c1CC
InChIInChI=1S/C16H24N4/c1-5-12-13(10-17)16(19-18-14(12)6-2)20-9-7-8-15(20)11(3)4/h11,15H,5-9H2,1-4H3
InChIKeyKAIRRACYCBEXSU-UHFFFAOYSA-N
XLogP3.10
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile (CID 80510249) is 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile is CCc1nnc(N2CCCC2C(C)C)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is KAIRRACYCBEXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-12-13(10-17)16(19-18-14(12)6-2)20-9-7-8-15(20)11(3)4/h11,15H,5-9H2,1-4H3.
What are the key properties of 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).