3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile

C17H14N4 — CID 64691379

IUPAC3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile
SMILESN#Cc1cccc(C2=NN=C(N)CC2c2ccccc2)c1
InChIInChI=1S/C17H14N4/c18-11-12-5-4-8-14(9-12)17-15(10-16(19)20-21-17)13-6-2-1-3-7-13/h1-9,15H,10H2,(H2,19,20)
InChIKeyQZBBBRPLGWUIDM-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.81
Rot. Bonds2

About 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile

3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile (PubChem CID 64691379) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile
PubChem CID64691379
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile
SMILESN#Cc1cccc(C2=NN=C(N)CC2c2ccccc2)c1
InChIInChI=1S/C17H14N4/c18-11-12-5-4-8-14(9-12)17-15(10-16(19)20-21-17)13-6-2-1-3-7-13/h1-9,15H,10H2,(H2,19,20)
InChIKeyQZBBBRPLGWUIDM-UHFFFAOYSA-N
XLogP2.81
TPSA74.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile?
The IUPAC name of 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile (CID 64691379) is 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile.
What is the SMILES notation for 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile?
The canonical SMILES for 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile is N#Cc1cccc(C2=NN=C(N)CC2c2ccccc2)c1.
What is the InChIKey of 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile?
The InChIKey is QZBBBRPLGWUIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-11-12-5-4-8-14(9-12)17-15(10-16(19)20-21-17)13-6-2-1-3-7-13/h1-9,15H,10H2,(H2,19,20).
What are the key properties of 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile?
3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile has a molecular weight of 274.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-4-phenyl-4,5-dihydropyridazin-3-yl)benzonitrile is sourced from PubChem (CID 64691379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).