5-(2-phenylethenyl)triazol-4-one

C10H7N3O — CID 57026228

IUPAC5-(2-phenylethenyl)triazol-4-one
SMILESO=C1N=NN=C1C=Cc1ccccc1
InChIInChI=1S/C10H7N3O/c14-10-9(11-13-12-10)7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyGBFXJNHHIUBBAS-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.05
Rot. Bonds2

About 5-(2-phenylethenyl)triazol-4-one

5-(2-phenylethenyl)triazol-4-one (PubChem CID 57026228) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-(2-phenylethenyl)triazol-4-one.

Molecular Properties

Compound Name5-(2-phenylethenyl)triazol-4-one
PubChem CID57026228
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name5-(2-phenylethenyl)triazol-4-one
SMILESO=C1N=NN=C1C=Cc1ccccc1
InChIInChI=1S/C10H7N3O/c14-10-9(11-13-12-10)7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyGBFXJNHHIUBBAS-UHFFFAOYSA-N
XLogP2.05
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

stilbene;triazol-4-one
CID 67742152
CID 70569152
CID 70569152
CID 70567885
CID 70567885
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
stilbene;sulfuric acid
CID 67612140
acetic acid;stilbene
CID 172803728
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 5-(2-phenylethenyl)triazol-4-one?
The IUPAC name of 5-(2-phenylethenyl)triazol-4-one (CID 57026228) is 5-(2-phenylethenyl)triazol-4-one.
What is the SMILES notation for 5-(2-phenylethenyl)triazol-4-one?
The canonical SMILES for 5-(2-phenylethenyl)triazol-4-one is O=C1N=NN=C1C=Cc1ccccc1.
What is the InChIKey of 5-(2-phenylethenyl)triazol-4-one?
The InChIKey is GBFXJNHHIUBBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-10-9(11-13-12-10)7-6-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-(2-phenylethenyl)triazol-4-one?
5-(2-phenylethenyl)triazol-4-one has a molecular weight of 185.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethenyl)triazol-4-one is sourced from PubChem (CID 57026228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).