3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C15H10N4O3 — CID 135463688

IUPAC3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccc(O)c(O)c2)n[nH]c2nc3ccccc3n12
InChIInChI=1S/C15H10N4O3/c20-11-6-5-8(7-12(11)21)13-14(22)19-10-4-2-1-3-9(10)16-15(19)18-17-13/h1-7,20-21H,(H,16,18)
InChIKeyGGHINWBMZXGCLY-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.65
Rot. Bonds1

About 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one

3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 135463688) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID135463688
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccc(O)c(O)c2)n[nH]c2nc3ccccc3n12
InChIInChI=1S/C15H10N4O3/c20-11-6-5-8(7-12(11)21)13-14(22)19-10-4-2-1-3-9(10)16-15(19)18-17-13/h1-7,20-21H,(H,16,18)
InChIKeyGGHINWBMZXGCLY-UHFFFAOYSA-N
XLogP1.65
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-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

3-(4-Methoxyphenyl)[1,2,4]triazino[4,3-a]benzimidazol-4(1H)-one
CID 386678
2-(1-Benzimidazolyl)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
CID 25067494
CID 25067495
CID 25067495
3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 135439478
3-(3,4-dimethoxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 10687275
1-(3,4-Dihydroxyphenyl)-2-(2-methyl-1-benzimidazolyl)ethanone
CID 25067496
CID 25067493
CID 25067493
1-(3,4-Dihydroxyphenyl)-2-[(1-methyl-2-benzimidazolyl)amino]ethanone
CID 25199540
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-[1-(prop-2-en-1-yl)-1,3-benzodiazol-2-yl]piperidine-4-carboxamide
CID 126468377
4-(2-Amino-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)benzene-1,2-diol
CID 4996264
N-[2-(3,4-Dihydroxyphenyl)ethyl]-1-(1-methyl-1,3-benzodiazol-2-YL)piperidine-4-carboxamide
CID 16669336
N-[2-(3,4-Dihydroxyphenyl)ethyl]-1-(1-ethyl-1,3-benzodiazol-2-YL)piperidine-4-carboxamide
CID 16672539

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 135463688) is 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccc(O)c(O)c2)n[nH]c2nc3ccccc3n12.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is GGHINWBMZXGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-11-6-5-8(7-12(11)21)13-14(22)19-10-4-2-1-3-9(10)16-15(19)18-17-13/h1-7,20-21H,(H,16,18).
What are the key properties of 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 294.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 135463688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).