pyrrolo[2,3-i][1,2,3]benzotriazepine

C10H6N4 — CID 70504160

IUPACpyrrolo[2,3-i][1,2,3]benzotriazepine
SMILESc1cc2ccc3nccc3c2nnn1
InChIInChI=1S/C10H6N4/c1-2-9-8(4-5-11-9)10-7(1)3-6-12-14-13-10/h1-6H
InChIKeyAEDPOXGBXKZDPT-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.57
Rot. Bonds

About pyrrolo[2,3-i][1,2,3]benzotriazepine

pyrrolo[2,3-i][1,2,3]benzotriazepine (PubChem CID 70504160) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is pyrrolo[2,3-i][1,2,3]benzotriazepine.

Molecular Properties

Compound Namepyrrolo[2,3-i][1,2,3]benzotriazepine
PubChem CID70504160
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Namepyrrolo[2,3-i][1,2,3]benzotriazepine
SMILESc1cc2ccc3nccc3c2nnn1
InChIInChI=1S/C10H6N4/c1-2-9-8(4-5-11-9)10-7(1)3-6-12-14-13-10/h1-6H
InChIKeyAEDPOXGBXKZDPT-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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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-i][1,2,3]benzotriazepine?
The IUPAC name of pyrrolo[2,3-i][1,2,3]benzotriazepine (CID 70504160) is pyrrolo[2,3-i][1,2,3]benzotriazepine.
What is the SMILES notation for pyrrolo[2,3-i][1,2,3]benzotriazepine?
The canonical SMILES for pyrrolo[2,3-i][1,2,3]benzotriazepine is c1cc2ccc3nccc3c2nnn1.
What is the InChIKey of pyrrolo[2,3-i][1,2,3]benzotriazepine?
The InChIKey is AEDPOXGBXKZDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-2-9-8(4-5-11-9)10-7(1)3-6-12-14-13-10/h1-6H.
What are the key properties of pyrrolo[2,3-i][1,2,3]benzotriazepine?
pyrrolo[2,3-i][1,2,3]benzotriazepine 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 pyrrolo[2,3-i][1,2,3]benzotriazepine is sourced from PubChem (CID 70504160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).