imidazo[4,5-i][1,2,3]benzotriazepine

C9H5N5 — CID 70598126

IUPACimidazo[4,5-i][1,2,3]benzotriazepine
SMILESc1cc2ccc3ncnc3c2nnn1
InChIInChI=1S/C9H5N5/c1-2-7-9(11-5-10-7)8-6(1)3-4-12-14-13-8/h1-5H
InChIKeyBHOGLUYOYZGWON-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.97
Rot. Bonds

About imidazo[4,5-i][1,2,3]benzotriazepine

imidazo[4,5-i][1,2,3]benzotriazepine (PubChem CID 70598126) has the molecular formula C9H5N5 and a molecular weight of 183.17 g/mol. Its IUPAC name is imidazo[4,5-i][1,2,3]benzotriazepine.

Molecular Properties

Compound Nameimidazo[4,5-i][1,2,3]benzotriazepine
PubChem CID70598126
Molecular FormulaC9H5N5
Molecular Weight183.17 g/mol
Exact Mass183.05
IUPAC Nameimidazo[4,5-i][1,2,3]benzotriazepine
SMILESc1cc2ccc3ncnc3c2nnn1
InChIInChI=1S/C9H5N5/c1-2-7-9(11-5-10-7)8-6(1)3-4-12-14-13-8/h1-5H
InChIKeyBHOGLUYOYZGWON-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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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-i][1,2,3]benzotriazepine?
The IUPAC name of imidazo[4,5-i][1,2,3]benzotriazepine (CID 70598126) is imidazo[4,5-i][1,2,3]benzotriazepine.
What is the SMILES notation for imidazo[4,5-i][1,2,3]benzotriazepine?
The canonical SMILES for imidazo[4,5-i][1,2,3]benzotriazepine is c1cc2ccc3ncnc3c2nnn1.
What is the InChIKey of imidazo[4,5-i][1,2,3]benzotriazepine?
The InChIKey is BHOGLUYOYZGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5/c1-2-7-9(11-5-10-7)8-6(1)3-4-12-14-13-8/h1-5H.
What are the key properties of imidazo[4,5-i][1,2,3]benzotriazepine?
imidazo[4,5-i][1,2,3]benzotriazepine 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 imidazo[4,5-i][1,2,3]benzotriazepine is sourced from PubChem (CID 70598126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).