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

C16H25N5 — CID 80504642

IUPAC5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)CN2CCCC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-4-13-14(10-17)16(20-19-15(13)5-2)18-12(3)11-21-8-6-7-9-21/h12H,4-9,11H2,1-3H3,(H,18,20)
InChIKeyDPFFEIHGYKDHPF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.37
Rot. Bonds6

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

5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 80504642) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile
PubChem CID80504642
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)CN2CCCC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-4-13-14(10-17)16(20-19-15(13)5-2)18-12(3)11-21-8-6-7-9-21/h12H,4-9,11H2,1-3H3,(H,18,20)
InChIKeyDPFFEIHGYKDHPF-UHFFFAOYSA-N
XLogP2.37
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.37
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-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile (CID 80504642) is 5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile is CCc1nnc(NC(C)CN2CCCC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is DPFFEIHGYKDHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-13-14(10-17)16(20-19-15(13)5-2)18-12(3)11-21-8-6-7-9-21/h12H,4-9,11H2,1-3H3,(H,18,20).
What are the key properties of 5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.37, 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-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80504642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).