3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile

C12H10N4O — CID 80514539

IUPAC3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
SMILESCc1ccc(N)c(Oc2nnccc2C#N)c1
InChIInChI=1S/C12H10N4O/c1-8-2-3-10(14)11(6-8)17-12-9(7-13)4-5-15-16-12/h2-6H,14H2,1H3
InChIKeySARPIYSFNQZACE-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.03
Rot. Bonds2

About 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile

3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile (PubChem CID 80514539) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
PubChem CID80514539
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
SMILESCc1ccc(N)c(Oc2nnccc2C#N)c1
InChIInChI=1S/C12H10N4O/c1-8-2-3-10(14)11(6-8)17-12-9(7-13)4-5-15-16-12/h2-6H,14H2,1H3
InChIKeySARPIYSFNQZACE-UHFFFAOYSA-N
XLogP2.03
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
CID 102702927
3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
CID 80510004
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
CID 80514822
3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80514825
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174
3-[4-amino-2-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80514722
3-(2,5-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510171
3-(3-hydroxy-2-methylphenoxy)pyridazine-4-carbonitrile
CID 80516417
3-(2-chlorophenoxy)pyridazine-4-carbonitrile
CID 80510196
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292
2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile
CID 114769786

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile (CID 80514539) is 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile is Cc1ccc(N)c(Oc2nnccc2C#N)c1.
What is the InChIKey of 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile?
The InChIKey is SARPIYSFNQZACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-2-3-10(14)11(6-8)17-12-9(7-13)4-5-15-16-12/h2-6H,14H2,1H3.
What are the key properties of 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile?
3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80514539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).