3-(2-phenylanilino)pyridazine-4-carbonitrile

C17H12N4 — CID 80508211

IUPAC3-(2-phenylanilino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H12N4/c18-12-14-10-11-19-21-17(14)20-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,(H,20,21)
InChIKeyHBJIPFYPXQUYOH-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.76
Rot. Bonds3

About 3-(2-phenylanilino)pyridazine-4-carbonitrile

3-(2-phenylanilino)pyridazine-4-carbonitrile (PubChem CID 80508211) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(2-phenylanilino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-phenylanilino)pyridazine-4-carbonitrile
PubChem CID80508211
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name3-(2-phenylanilino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H12N4/c18-12-14-10-11-19-21-17(14)20-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,(H,20,21)
InChIKeyHBJIPFYPXQUYOH-UHFFFAOYSA-N
XLogP3.76
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylanilino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-phenylanilino)pyridazine-4-carbonitrile (CID 80508211) is 3-(2-phenylanilino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-phenylanilino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-phenylanilino)pyridazine-4-carbonitrile is N#Cc1ccnnc1Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2-phenylanilino)pyridazine-4-carbonitrile?
The InChIKey is HBJIPFYPXQUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c18-12-14-10-11-19-21-17(14)20-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,(H,20,21).
What are the key properties of 3-(2-phenylanilino)pyridazine-4-carbonitrile?
3-(2-phenylanilino)pyridazine-4-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylanilino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80508211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).