2H-[1]benzofuro[2,3-f]benzotriazole

C12H7N3O — CID 12008801

IUPAC2H-[1]benzofuro[2,3-f]benzotriazole
SMILESc1ccc2c(c1)oc1cc3n[nH]nc3cc12
InChIInChI=1S/C12H7N3O/c1-2-4-11-7(3-1)8-5-9-10(14-15-13-9)6-12(8)16-11/h1-6H,(H,13,14,15)
InChIKeyHKJABJBPHUEGCH-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.86
Rot. Bonds

About 2H-[1]benzofuro[2,3-f]benzotriazole

2H-[1]benzofuro[2,3-f]benzotriazole (PubChem CID 12008801) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 2H-[1]benzofuro[2,3-f]benzotriazole.

Molecular Properties

Compound Name2H-[1]benzofuro[2,3-f]benzotriazole
PubChem CID12008801
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name2H-[1]benzofuro[2,3-f]benzotriazole
SMILESc1ccc2c(c1)oc1cc3n[nH]nc3cc12
InChIInChI=1S/C12H7N3O/c1-2-4-11-7(3-1)8-5-9-10(14-15-13-9)6-12(8)16-11/h1-6H,(H,13,14,15)
InChIKeyHKJABJBPHUEGCH-UHFFFAOYSA-N
XLogP2.86
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-[1]benzofuro[2,3-f]benzotriazole?
The IUPAC name of 2H-[1]benzofuro[2,3-f]benzotriazole (CID 12008801) is 2H-[1]benzofuro[2,3-f]benzotriazole.
What is the SMILES notation for 2H-[1]benzofuro[2,3-f]benzotriazole?
The canonical SMILES for 2H-[1]benzofuro[2,3-f]benzotriazole is c1ccc2c(c1)oc1cc3n[nH]nc3cc12.
What is the InChIKey of 2H-[1]benzofuro[2,3-f]benzotriazole?
The InChIKey is HKJABJBPHUEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c1-2-4-11-7(3-1)8-5-9-10(14-15-13-9)6-12(8)16-11/h1-6H,(H,13,14,15).
What are the key properties of 2H-[1]benzofuro[2,3-f]benzotriazole?
2H-[1]benzofuro[2,3-f]benzotriazole has a molecular weight of 209.21 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-[1]benzofuro[2,3-f]benzotriazole is sourced from PubChem (CID 12008801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).