5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile

C15H21N5 — CID 114694557

IUPAC5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2=CCNCC2)c(C#N)c1CC
InChIInChI=1S/C15H21N5/c1-3-12-13(9-16)15(20-19-14(12)4-2)18-10-11-5-7-17-8-6-11/h5,17H,3-4,6-8,10H2,1-2H3,(H,18,20)
InChIKeyKMPVRSJBNUYTFI-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.80
Rot. Bonds5

About 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 114694557) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID114694557
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2=CCNCC2)c(C#N)c1CC
InChIInChI=1S/C15H21N5/c1-3-12-13(9-16)15(20-19-14(12)4-2)18-10-11-5-7-17-8-6-11/h5,17H,3-4,6-8,10H2,1-2H3,(H,18,20)
InChIKeyKMPVRSJBNUYTFI-UHFFFAOYSA-N
XLogP1.80
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile (CID 114694557) is 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile is CCc1nnc(NCC2=CCNCC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is KMPVRSJBNUYTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-12-13(9-16)15(20-19-14(12)4-2)18-10-11-5-7-17-8-6-11/h5,17H,3-4,6-8,10H2,1-2H3,(H,18,20).
What are the key properties of 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 271.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 114694557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).