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

C14H22N4O — CID 115693664

IUPAC5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)CCC(C)O)c(C#N)c1CC
InChIInChI=1S/C14H22N4O/c1-5-11-12(9-15)14(17-16-13(11)6-2)18(4)8-7-10(3)19/h10,19H,5-8H2,1-4H3
InChIKeyUOEHEOIFKURMGT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.68
Rot. Bonds6

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

5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile (PubChem CID 115693664) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile
PubChem CID115693664
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)CCC(C)O)c(C#N)c1CC
InChIInChI=1S/C14H22N4O/c1-5-11-12(9-15)14(17-16-13(11)6-2)18(4)8-7-10(3)19/h10,19H,5-8H2,1-4H3
InChIKeyUOEHEOIFKURMGT-UHFFFAOYSA-N
XLogP1.68
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile (CID 115693664) is 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile is CCc1nnc(N(C)CCC(C)O)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile?
The InChIKey is UOEHEOIFKURMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-11-12(9-15)14(17-16-13(11)6-2)18(4)8-7-10(3)19/h10,19H,5-8H2,1-4H3.
What are the key properties of 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 115693664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).