5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile

C14H21N3O2 — CID 80510168

IUPAC5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCCOC(C)C)c(C#N)c1CC
InChIInChI=1S/C14H21N3O2/c1-5-11-12(9-15)14(17-16-13(11)6-2)19-8-7-18-10(3)4/h10H,5-8H2,1-4H3
InChIKeyDWRRUJBGBYBIFS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds7

About 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile (PubChem CID 80510168) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
PubChem CID80510168
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCCOC(C)C)c(C#N)c1CC
InChIInChI=1S/C14H21N3O2/c1-5-11-12(9-15)14(17-16-13(11)6-2)19-8-7-18-10(3)4/h10H,5-8H2,1-4H3
InChIKeyDWRRUJBGBYBIFS-UHFFFAOYSA-N
XLogP2.28
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile (CID 80510168) is 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile is CCc1nnc(OCCOC(C)C)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile?
The InChIKey is DWRRUJBGBYBIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-11-12(9-15)14(17-16-13(11)6-2)19-8-7-18-10(3)4/h10H,5-8H2,1-4H3.
What are the key properties of 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).