2-phenylprop-1-enyl(phthalazin-1-yl)diazene

C17H14N4 — CID 91190682

IUPAC2-phenylprop-1-enyl(phthalazin-1-yl)diazene
SMILESCC(=C/N=N/c1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C17H14N4/c1-13(14-7-3-2-4-8-14)11-18-20-17-16-10-6-5-9-15(16)12-19-21-17/h2-12H,1H3/b13-11?,20-18+
InChIKeyAYWHBJDHVOLXEJ-GXNMSKPHSA-N
MW274.33 g/mol
LogP4.77
Rot. Bonds3

About 2-phenylprop-1-enyl(phthalazin-1-yl)diazene

2-phenylprop-1-enyl(phthalazin-1-yl)diazene (PubChem CID 91190682) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-phenylprop-1-enyl(phthalazin-1-yl)diazene.

Molecular Properties

Compound Name2-phenylprop-1-enyl(phthalazin-1-yl)diazene
PubChem CID91190682
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-phenylprop-1-enyl(phthalazin-1-yl)diazene
SMILESCC(=C/N=N/c1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C17H14N4/c1-13(14-7-3-2-4-8-14)11-18-20-17-16-10-6-5-9-15(16)12-19-21-17/h2-12H,1H3/b13-11?,20-18+
InChIKeyAYWHBJDHVOLXEJ-GXNMSKPHSA-N
XLogP4.77
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylprop-1-enyl(phthalazin-1-yl)diazene?
The IUPAC name of 2-phenylprop-1-enyl(phthalazin-1-yl)diazene (CID 91190682) is 2-phenylprop-1-enyl(phthalazin-1-yl)diazene.
What is the SMILES notation for 2-phenylprop-1-enyl(phthalazin-1-yl)diazene?
The canonical SMILES for 2-phenylprop-1-enyl(phthalazin-1-yl)diazene is CC(=C/N=N/c1nncc2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenylprop-1-enyl(phthalazin-1-yl)diazene?
The InChIKey is AYWHBJDHVOLXEJ-GXNMSKPHSA-N. The full InChI is InChI=1S/C17H14N4/c1-13(14-7-3-2-4-8-14)11-18-20-17-16-10-6-5-9-15(16)12-19-21-17/h2-12H,1H3/b13-11?,20-18+.
What are the key properties of 2-phenylprop-1-enyl(phthalazin-1-yl)diazene?
2-phenylprop-1-enyl(phthalazin-1-yl)diazene has a molecular weight of 274.33 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylprop-1-enyl(phthalazin-1-yl)diazene is sourced from PubChem (CID 91190682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).