triazolo[4,5-h][1,5]benzodiazepine

C9H5N5 — CID 139216636

IUPACtriazolo[4,5-h][1,5]benzodiazepine
SMILESc1cnc2cc3nnnc3cc2nc1
InChIInChI=1S/C9H5N5/c1-2-10-6-4-8-9(13-14-12-8)5-7(6)11-3-1/h1-5H
InChIKeyBQJJRHKFFMOJOQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.97
Rot. Bonds

About triazolo[4,5-h][1,5]benzodiazepine

triazolo[4,5-h][1,5]benzodiazepine (PubChem CID 139216636) has the molecular formula C9H5N5 and a molecular weight of 183.17 g/mol. Its IUPAC name is triazolo[4,5-h][1,5]benzodiazepine.

Molecular Properties

Compound Nametriazolo[4,5-h][1,5]benzodiazepine
PubChem CID139216636
Molecular FormulaC9H5N5
Molecular Weight183.17 g/mol
Exact Mass183.05
IUPAC Nametriazolo[4,5-h][1,5]benzodiazepine
SMILESc1cnc2cc3nnnc3cc2nc1
InChIInChI=1S/C9H5N5/c1-2-10-6-4-8-9(13-14-12-8)5-7(6)11-3-1/h1-5H
InChIKeyBQJJRHKFFMOJOQ-UHFFFAOYSA-N
XLogP0.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze triazolo[4,5-h][1,5]benzodiazepine 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

Triazolobenzazepine
CID 67039107
[1,2,3]Triazolo[1,4]benzodiazepine
CID 68422589
Benzo-triazolo-1,4-diazepine
CID 129726358
1,2,5-Tri-azepinobenzimidazole
CID 137797109
2H-Pyrrolo[3,2-B]pyridine
CID 56972322
Triazolo[4,5-i][1,5]benzodiazepine
CID 66654641
Imidazo[4,5-i][1,5]benzodiazepine
CID 67632074
Pyrrolo[2,3-i][1,2,3]benzotriazepine
CID 70504160
2,5,6,10,11-Pentazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
CID 90269055
ethane;8H-pyridazino[4,3-b]azepine
CID 143248602
ethane;8H-pyrido[3,2-b]azepine
CID 153553936
3,4,7,12-Tetrazatricyclo[6.4.0.02,6]dodeca-1,3,5,7,9,11-hexaene
CID 172715309

Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-h][1,5]benzodiazepine?
The IUPAC name of triazolo[4,5-h][1,5]benzodiazepine (CID 139216636) is triazolo[4,5-h][1,5]benzodiazepine.
What is the SMILES notation for triazolo[4,5-h][1,5]benzodiazepine?
The canonical SMILES for triazolo[4,5-h][1,5]benzodiazepine is c1cnc2cc3nnnc3cc2nc1.
What is the InChIKey of triazolo[4,5-h][1,5]benzodiazepine?
The InChIKey is BQJJRHKFFMOJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5/c1-2-10-6-4-8-9(13-14-12-8)5-7(6)11-3-1/h1-5H.
What are the key properties of triazolo[4,5-h][1,5]benzodiazepine?
triazolo[4,5-h][1,5]benzodiazepine has a molecular weight of 183.17 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-h][1,5]benzodiazepine is sourced from PubChem (CID 139216636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).