2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one

C10H7N4O+ — CID 20783542

IUPAC2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one
SMILESO=C1n2cncc2N=[N+]1c1ccccc1
InChIInChI=1S/C10H7N4O/c15-10-13-7-11-6-9(13)12-14(10)8-4-2-1-3-5-8/h1-7H/q+1
InChIKeyZERLFVQMZXFANQ-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.29
Rot. Bonds1

About 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one

2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one (PubChem CID 20783542) has the molecular formula C10H7N4O+ and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one.

Molecular Properties

Compound Name2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one
PubChem CID20783542
Molecular FormulaC10H7N4O+
Molecular Weight199.19 g/mol
Exact Mass199.06
IUPAC Name2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one
SMILESO=C1n2cncc2N=[N+]1c1ccccc1
InChIInChI=1S/C10H7N4O/c15-10-13-7-11-6-9(13)12-14(10)8-4-2-1-3-5-8/h1-7H/q+1
InChIKeyZERLFVQMZXFANQ-UHFFFAOYSA-N
XLogP2.29
TPSA50.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,17-dimethyl-2,12-diphenyl-4,7,10,14,17,20-hexaza-2,12-diazoniapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),10,12,14,19-heptaene-6,8,16,18-tetrone
CID 76793666
4-chloro-1-phenylpyridazin-1-ium-3,6-dione
CID 78169532
N-methyl-6-oxo-1-phenylpyrimidine-5-carboxamide
CID 143596490
2,5,5-triphenyl-4H-1,2,4-triazol-2-ium-3-one
CID 134871110
1-phenylpyrrolo[3,2-d]pyrimidine
CID 166509550
(E)-3-(3-phenylimidazol-4-yl)prop-2-enoic acid
CID 70117512
2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 68573802
5-(2-ethylphenyl)-1-phenylimidazole
CID 160833005
5-benzyl-3-propan-2-ylpyrimidin-4-one
CID 58170128
N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline
CID 152657111
[(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate
CID 71267077
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934

Frequently Asked Questions

What is the IUPAC name of 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one?
The IUPAC name of 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one (CID 20783542) is 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one.
What is the SMILES notation for 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one?
The canonical SMILES for 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one is O=C1n2cncc2N=[N+]1c1ccccc1.
What is the InChIKey of 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one?
The InChIKey is ZERLFVQMZXFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N4O/c15-10-13-7-11-6-9(13)12-14(10)8-4-2-1-3-5-8/h1-7H/q+1.
What are the key properties of 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one?
2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one has a molecular weight of 199.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimidazo[5,1-c][1,2,4]triazol-2-ium-3-one is sourced from PubChem (CID 20783542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).