triazolo[4,5-i][1]benzazepine

C10H6N4 — CID 67039107

IUPACtriazolo[4,5-i][1]benzazepine
SMILESc1ccc2ccc3nnnc3c2nc1
InChIInChI=1S/C10H6N4/c1-2-6-11-9-7(3-1)4-5-8-10(9)13-14-12-8/h1-6H
InChIKeyQDEVEJYEXBFIJD-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.57
Rot. Bonds

About triazolo[4,5-i][1]benzazepine

triazolo[4,5-i][1]benzazepine (PubChem CID 67039107) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is triazolo[4,5-i][1]benzazepine.

Molecular Properties

Compound Nametriazolo[4,5-i][1]benzazepine
PubChem CID67039107
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Nametriazolo[4,5-i][1]benzazepine
SMILESc1ccc2ccc3nnnc3c2nc1
InChIInChI=1S/C10H6N4/c1-2-6-11-9-7(3-1)4-5-8-10(9)13-14-12-8/h1-6H
InChIKeyQDEVEJYEXBFIJD-UHFFFAOYSA-N
XLogP1.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Azolo[1,4]benzodiazepine
CID 66714092
Imidazobenzazepine
CID 67235958
Imidazo-benzopyrazole
CID 67258421
Pyrazoloindole
CID 67258987
Pyrazolobenzopyrazole
CID 67259474
Diazepinobenzimidazole
CID 67657169
Benzo-triazolodiazepine
CID 67658199
Triazoloisoindole
CID 67839569
[1,2,3]Triazolo[1,4]benzodiazepine
CID 68422589
Diazepinoindole
CID 70068806
Pyrrolobenzodiazepine
CID 87072684
Pyrazolo-carbazole
CID 87327690

Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-i][1]benzazepine?
The IUPAC name of triazolo[4,5-i][1]benzazepine (CID 67039107) is triazolo[4,5-i][1]benzazepine.
What is the SMILES notation for triazolo[4,5-i][1]benzazepine?
The canonical SMILES for triazolo[4,5-i][1]benzazepine is c1ccc2ccc3nnnc3c2nc1.
What is the InChIKey of triazolo[4,5-i][1]benzazepine?
The InChIKey is QDEVEJYEXBFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-2-6-11-9-7(3-1)4-5-8-10(9)13-14-12-8/h1-6H.
What are the key properties of triazolo[4,5-i][1]benzazepine?
triazolo[4,5-i][1]benzazepine has a molecular weight of 182.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-i][1]benzazepine is sourced from PubChem (CID 67039107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).