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

C11H16N4O — CID 91646950

IUPAC5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)OC)c(C#N)c1CC
InChIInChI=1S/C11H16N4O/c1-5-8-9(7-12)11(15(3)16-4)14-13-10(8)6-2/h5-6H2,1-4H3
InChIKeyKGJJXMKDYMMJCH-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.47
Rot. Bonds4

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

5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile (PubChem CID 91646950) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile
PubChem CID91646950
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)OC)c(C#N)c1CC
InChIInChI=1S/C11H16N4O/c1-5-8-9(7-12)11(15(3)16-4)14-13-10(8)6-2/h5-6H2,1-4H3
InChIKeyKGJJXMKDYMMJCH-UHFFFAOYSA-N
XLogP1.47
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile (CID 91646950) is 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile is CCc1nnc(N(C)OC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile?
The InChIKey is KGJJXMKDYMMJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-8-9(7-12)11(15(3)16-4)14-13-10(8)6-2/h5-6H2,1-4H3.
What are the key properties of 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methoxy(methyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 91646950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).