3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile

C17H13N3 — CID 132580852

IUPAC3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)NN=C(c2ccccc2)C1
InChIInChI=1S/C17H13N3/c18-12-15-11-16(13-7-3-1-4-8-13)19-20-17(15)14-9-5-2-6-10-14/h1-10,20H,11H2
InChIKeyVZFZHWDRZOIZAH-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.32
Rot. Bonds2

About 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile

3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile (PubChem CID 132580852) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile
PubChem CID132580852
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)NN=C(c2ccccc2)C1
InChIInChI=1S/C17H13N3/c18-12-15-11-16(13-7-3-1-4-8-13)19-20-17(15)14-9-5-2-6-10-14/h1-10,20H,11H2
InChIKeyVZFZHWDRZOIZAH-UHFFFAOYSA-N
XLogP3.32
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile?
The IUPAC name of 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile (CID 132580852) is 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile.
What is the SMILES notation for 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile?
The canonical SMILES for 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile is N#CC1=C(c2ccccc2)NN=C(c2ccccc2)C1.
What is the InChIKey of 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile?
The InChIKey is VZFZHWDRZOIZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-12-15-11-16(13-7-3-1-4-8-13)19-20-17(15)14-9-5-2-6-10-14/h1-10,20H,11H2.
What are the key properties of 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile?
3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,4-dihydropyridazine-5-carbonitrile is sourced from PubChem (CID 132580852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).