5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile

C17H13N3O — CID 134120009

IUPAC5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile
SMILESN#CC1=NN(c2ccccc2)C(c2ccccc2)C=C1O
InChIInChI=1S/C17H13N3O/c18-12-15-17(21)11-16(13-7-3-1-4-8-13)20(19-15)14-9-5-2-6-10-14/h1-11,16,21H
InChIKeyBFYRZOHSDFLIFW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.57
Rot. Bonds2

About 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile

5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile (PubChem CID 134120009) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile
PubChem CID134120009
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile
SMILESN#CC1=NN(c2ccccc2)C(c2ccccc2)C=C1O
InChIInChI=1S/C17H13N3O/c18-12-15-17(21)11-16(13-7-3-1-4-8-13)20(19-15)14-9-5-2-6-10-14/h1-11,16,21H
InChIKeyBFYRZOHSDFLIFW-UHFFFAOYSA-N
XLogP3.57
TPSA59.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile?
The IUPAC name of 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile (CID 134120009) is 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile.
What is the SMILES notation for 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile?
The canonical SMILES for 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile is N#CC1=NN(c2ccccc2)C(c2ccccc2)C=C1O.
What is the InChIKey of 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile?
The InChIKey is BFYRZOHSDFLIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-12-15-17(21)11-16(13-7-3-1-4-8-13)20(19-15)14-9-5-2-6-10-14/h1-11,16,21H.
What are the key properties of 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile?
5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-diphenyl-3H-pyridazine-6-carbonitrile is sourced from PubChem (CID 134120009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).