5-(2H-benzotriazol-5-yl)-2H-benzotriazole

C12H8N6 — CID 14323676

IUPAC5-(2H-benzotriazol-5-yl)-2H-benzotriazole
SMILESc1cc2n[nH]nc2cc1-c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H8N6/c1-3-9-11(15-17-13-9)5-7(1)8-2-4-10-12(6-8)16-18-14-10/h1-6H,(H,13,15,17)(H,14,16,18)
InChIKeyBVXFFUYUZOVQFF-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.90
Rot. Bonds1

About 5-(2H-benzotriazol-5-yl)-2H-benzotriazole

5-(2H-benzotriazol-5-yl)-2H-benzotriazole (PubChem CID 14323676) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 5-(2H-benzotriazol-5-yl)-2H-benzotriazole.

Molecular Properties

Compound Name5-(2H-benzotriazol-5-yl)-2H-benzotriazole
PubChem CID14323676
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name5-(2H-benzotriazol-5-yl)-2H-benzotriazole
SMILESc1cc2n[nH]nc2cc1-c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H8N6/c1-3-9-11(15-17-13-9)5-7(1)8-2-4-10-12(6-8)16-18-14-10/h1-6H,(H,13,15,17)(H,14,16,18)
InChIKeyBVXFFUYUZOVQFF-UHFFFAOYSA-N
XLogP1.90
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-benzotriazol-5-yl)-2H-benzotriazole?
The IUPAC name of 5-(2H-benzotriazol-5-yl)-2H-benzotriazole (CID 14323676) is 5-(2H-benzotriazol-5-yl)-2H-benzotriazole.
What is the SMILES notation for 5-(2H-benzotriazol-5-yl)-2H-benzotriazole?
The canonical SMILES for 5-(2H-benzotriazol-5-yl)-2H-benzotriazole is c1cc2n[nH]nc2cc1-c1ccc2n[nH]nc2c1.
What is the InChIKey of 5-(2H-benzotriazol-5-yl)-2H-benzotriazole?
The InChIKey is BVXFFUYUZOVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c1-3-9-11(15-17-13-9)5-7(1)8-2-4-10-12(6-8)16-18-14-10/h1-6H,(H,13,15,17)(H,14,16,18).
What are the key properties of 5-(2H-benzotriazol-5-yl)-2H-benzotriazole?
5-(2H-benzotriazol-5-yl)-2H-benzotriazole has a molecular weight of 236.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-benzotriazol-5-yl)-2H-benzotriazole is sourced from PubChem (CID 14323676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).