6-(2-phenoxyethylamino)pyridazine-3-carbonitrile

C13H12N4O — CID 163348040

IUPAC6-(2-phenoxyethylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCCOc2ccccc2)nn1
InChIInChI=1S/C13H12N4O/c14-10-11-6-7-13(17-16-11)15-8-9-18-12-4-2-1-3-5-12/h1-7H,8-9H2,(H,15,17)
InChIKeyTUYYFKGDCZNYRF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.84
Rot. Bonds5

About 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile

6-(2-phenoxyethylamino)pyridazine-3-carbonitrile (PubChem CID 163348040) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-phenoxyethylamino)pyridazine-3-carbonitrile
PubChem CID163348040
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(2-phenoxyethylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCCOc2ccccc2)nn1
InChIInChI=1S/C13H12N4O/c14-10-11-6-7-13(17-16-11)15-8-9-18-12-4-2-1-3-5-12/h1-7H,8-9H2,(H,15,17)
InChIKeyTUYYFKGDCZNYRF-UHFFFAOYSA-N
XLogP1.84
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
4-(2-anilinoethoxy)benzonitrile
CID 134030846
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
CID 80509509
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
4-(2-phenoxyethoxy)pyridine-2-carbonitrile
CID 62937276
2-amino-3-(2-phenoxyethylamino)benzonitrile
CID 104716563
2-bromo-6-(2-phenoxyethylamino)benzonitrile
CID 114880862
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile (CID 163348040) is 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile is N#Cc1ccc(NCCOc2ccccc2)nn1.
What is the InChIKey of 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile?
The InChIKey is TUYYFKGDCZNYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-10-11-6-7-13(17-16-11)15-8-9-18-12-4-2-1-3-5-12/h1-7H,8-9H2,(H,15,17).
What are the key properties of 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile?
6-(2-phenoxyethylamino)pyridazine-3-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyethylamino)pyridazine-3-carbonitrile is sourced from PubChem (CID 163348040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).