triazolo[4,5-i][2,4]benzodiazepine

C9H5N5 — CID 70629358

IUPACtriazolo[4,5-i][2,4]benzodiazepine
SMILESc1ncc2ccc3nnnc3c2cn1
InChIInChI=1S/C9H5N5/c1-2-8-9(13-14-12-8)7-4-11-5-10-3-6(1)7/h1-5H
InChIKeyUCZAIHZMRIQEIN-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.97
Rot. Bonds

About triazolo[4,5-i][2,4]benzodiazepine

triazolo[4,5-i][2,4]benzodiazepine (PubChem CID 70629358) has the molecular formula C9H5N5 and a molecular weight of 183.17 g/mol. Its IUPAC name is triazolo[4,5-i][2,4]benzodiazepine.

Molecular Properties

Compound Nametriazolo[4,5-i][2,4]benzodiazepine
PubChem CID70629358
Molecular FormulaC9H5N5
Molecular Weight183.17 g/mol
Exact Mass183.05
IUPAC Nametriazolo[4,5-i][2,4]benzodiazepine
SMILESc1ncc2ccc3nnnc3c2cn1
InChIInChI=1S/C9H5N5/c1-2-8-9(13-14-12-8)7-4-11-5-10-3-6(1)7/h1-5H
InChIKeyUCZAIHZMRIQEIN-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

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Related Compounds

Imidazolo[4,5-f]indole
CID 18952429
Pyrrolobenzimidazole
CID 53687060
Imidazobenzodiazepine
CID 66618719
Azolo[1,4]benzodiazepine
CID 66714092
Triazolobenzazepine
CID 67039107
Pyrazolobenzimidazole
CID 67169610
Imidazobenzazepine
CID 67235958
Imidazo-benzopyrazole
CID 67258421
Imidazoisoindole
CID 67258548
Pyrazoloisoindole
CID 67258838
Pyrazolobenzopyrazole
CID 67259474
Diazepinobenzimidazole
CID 67657169

Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-i][2,4]benzodiazepine?
The IUPAC name of triazolo[4,5-i][2,4]benzodiazepine (CID 70629358) is triazolo[4,5-i][2,4]benzodiazepine.
What is the SMILES notation for triazolo[4,5-i][2,4]benzodiazepine?
The canonical SMILES for triazolo[4,5-i][2,4]benzodiazepine is c1ncc2ccc3nnnc3c2cn1.
What is the InChIKey of triazolo[4,5-i][2,4]benzodiazepine?
The InChIKey is UCZAIHZMRIQEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5/c1-2-8-9(13-14-12-8)7-4-11-5-10-3-6(1)7/h1-5H.
What are the key properties of triazolo[4,5-i][2,4]benzodiazepine?
triazolo[4,5-i][2,4]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-i][2,4]benzodiazepine is sourced from PubChem (CID 70629358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).