5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile

C15H24N4 — CID 80509404

IUPAC5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile
SMILESCCCCCN(C)c1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C15H24N4/c1-5-8-9-10-19(4)15-13(11-16)12(6-2)14(7-3)17-18-15/h5-10H2,1-4H3
InChIKeyKXVOAEWHKPQVAP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.10
Rot. Bonds7

About 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile (PubChem CID 80509404) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile
PubChem CID80509404
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile
SMILESCCCCCN(C)c1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C15H24N4/c1-5-8-9-10-19(4)15-13(11-16)12(6-2)14(7-3)17-18-15/h5-10H2,1-4H3
InChIKeyKXVOAEWHKPQVAP-UHFFFAOYSA-N
XLogP3.10
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile (CID 80509404) is 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile is CCCCCN(C)c1nnc(CC)c(CC)c1C#N.
What is the InChIKey of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile?
The InChIKey is KXVOAEWHKPQVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-8-9-10-19(4)15-13(11-16)12(6-2)14(7-3)17-18-15/h5-10H2,1-4H3.
What are the key properties of 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).