stilbene;triazol-4-one

C16H13N3O — CID 67742152

IUPACstilbene;triazol-4-one
SMILESC(=Cc1ccccc1)c1ccccc1.O=C1C=NN=N1
InChIInChI=1S/C14H12.C2HN3O/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6-2-1-3-5-4-2/h1-12H;1H
InChIKeyJYOVGMPFJGJTGO-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.82
Rot. Bonds2

About stilbene;triazol-4-one

stilbene;triazol-4-one (PubChem CID 67742152) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is stilbene;triazol-4-one.

Molecular Properties

Compound Namestilbene;triazol-4-one
PubChem CID67742152
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Namestilbene;triazol-4-one
SMILESC(=Cc1ccccc1)c1ccccc1.O=C1C=NN=N1
InChIInChI=1S/C14H12.C2HN3O/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6-2-1-3-5-4-2/h1-12H;1H
InChIKeyJYOVGMPFJGJTGO-UHFFFAOYSA-N
XLogP3.82
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-(2-phenylethenyl)triazol-4-one
CID 57026228
CID 70567885
CID 70567885
CID 70569152
CID 70569152
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
acetic acid;stilbene
CID 172803728
stilbene;sulfuric acid
CID 67612140
stilbene azide
CID 159769295
N,N-dimethylmethanamine;stilbene
CID 174368184
pyrrolidine-2,5-dione;stilbene
CID 70488570
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999

Frequently Asked Questions

What is the IUPAC name of stilbene;triazol-4-one?
The IUPAC name of stilbene;triazol-4-one (CID 67742152) is stilbene;triazol-4-one.
What is the SMILES notation for stilbene;triazol-4-one?
The canonical SMILES for stilbene;triazol-4-one is C(=Cc1ccccc1)c1ccccc1.O=C1C=NN=N1.
What is the InChIKey of stilbene;triazol-4-one?
The InChIKey is JYOVGMPFJGJTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C2HN3O/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6-2-1-3-5-4-2/h1-12H;1H.
What are the key properties of stilbene;triazol-4-one?
stilbene;triazol-4-one has a molecular weight of 263.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for stilbene;triazol-4-one is sourced from PubChem (CID 67742152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).