5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile

C11H11N5O — CID 81342312

IUPAC5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile
SMILESCc1cc(Oc2nnc(C)c(C)c2C#N)n[nH]1
InChIInChI=1S/C11H11N5O/c1-6-4-10(15-13-6)17-11-9(5-12)7(2)8(3)14-16-11/h4H,1-3H3,(H,13,15)
InChIKeyUOZLRQQCLYYJET-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.79
Rot. Bonds2

About 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile (PubChem CID 81342312) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile
PubChem CID81342312
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile
SMILESCc1cc(Oc2nnc(C)c(C)c2C#N)n[nH]1
InChIInChI=1S/C11H11N5O/c1-6-4-10(15-13-6)17-11-9(5-12)7(2)8(3)14-16-11/h4H,1-3H3,(H,13,15)
InChIKeyUOZLRQQCLYYJET-UHFFFAOYSA-N
XLogP1.79
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile (CID 81342312) is 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile is Cc1cc(Oc2nnc(C)c(C)c2C#N)n[nH]1.
What is the InChIKey of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile?
The InChIKey is UOZLRQQCLYYJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-6-4-10(15-13-6)17-11-9(5-12)7(2)8(3)14-16-11/h4H,1-3H3,(H,13,15).
What are the key properties of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile is sourced from PubChem (CID 81342312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).