2H-benzotriazole;1,1'-biphenyl

C18H15N3 — CID 161096180

IUPAC2H-benzotriazole;1,1'-biphenyl
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H10.C6H5N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5(3-1)7-9-8-6/h1-10H;1-4H,(H,7,8,9)
InChIKeyUHVAWFUDUWXBIV-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.31
Rot. Bonds1

About 2H-benzotriazole;1,1'-biphenyl

2H-benzotriazole;1,1'-biphenyl (PubChem CID 161096180) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2H-benzotriazole;1,1'-biphenyl.

Molecular Properties

Compound Name2H-benzotriazole;1,1'-biphenyl
PubChem CID161096180
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2H-benzotriazole;1,1'-biphenyl
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H10.C6H5N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5(3-1)7-9-8-6/h1-10H;1-4H,(H,7,8,9)
InChIKeyUHVAWFUDUWXBIV-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;1,1'-biphenyl?
The IUPAC name of 2H-benzotriazole;1,1'-biphenyl (CID 161096180) is 2H-benzotriazole;1,1'-biphenyl.
What is the SMILES notation for 2H-benzotriazole;1,1'-biphenyl?
The canonical SMILES for 2H-benzotriazole;1,1'-biphenyl is c1ccc(-c2ccccc2)cc1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;1,1'-biphenyl?
The InChIKey is UHVAWFUDUWXBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H5N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5(3-1)7-9-8-6/h1-10H;1-4H,(H,7,8,9).
What are the key properties of 2H-benzotriazole;1,1'-biphenyl?
2H-benzotriazole;1,1'-biphenyl has a molecular weight of 273.34 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;1,1'-biphenyl is sourced from PubChem (CID 161096180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).