3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine

C13H26N2O — CID 154677983

IUPAC3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine
SMILESCCC1NNC=C(CCC(C)OC)C1CC
InChIInChI=1S/C13H26N2O/c1-5-12-11(8-7-10(3)16-4)9-14-15-13(12)6-2/h9-10,12-15H,5-8H2,1-4H3
InChIKeyVZYNXABOFVQVOX-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.60
Rot. Bonds6

About 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine

3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine (PubChem CID 154677983) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine.

Molecular Properties

Compound Name3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine
PubChem CID154677983
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine
SMILESCCC1NNC=C(CCC(C)OC)C1CC
InChIInChI=1S/C13H26N2O/c1-5-12-11(8-7-10(3)16-4)9-14-15-13(12)6-2/h9-10,12-15H,5-8H2,1-4H3
InChIKeyVZYNXABOFVQVOX-UHFFFAOYSA-N
XLogP2.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine?
The IUPAC name of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine (CID 154677983) is 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine.
What is the SMILES notation for 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine?
The canonical SMILES for 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine is CCC1NNC=C(CCC(C)OC)C1CC.
What is the InChIKey of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine?
The InChIKey is VZYNXABOFVQVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-12-11(8-7-10(3)16-4)9-14-15-13(12)6-2/h9-10,12-15H,5-8H2,1-4H3.
What are the key properties of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine?
3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine has a molecular weight of 226.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine is sourced from PubChem (CID 154677983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).