1,1'-biphenyl;2H-triazole

C14H13N3 — CID 22905745

IUPAC1,1'-biphenyl;2H-triazole
SMILESc1ccc(-c2ccccc2)cc1.c1cn[nH]n1
InChIInChI=1S/C12H10.C2H3N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-2H,(H,3,4,5)
InChIKeyDADCHRIIDRATMM-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.16
Rot. Bonds1

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

1,1'-biphenyl;2H-triazole (PubChem CID 22905745) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,1'-biphenyl;2H-triazole.

Molecular Properties

Compound Name1,1'-biphenyl;2H-triazole
PubChem CID22905745
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1,1'-biphenyl;2H-triazole
SMILESc1ccc(-c2ccccc2)cc1.c1cn[nH]n1
InChIInChI=1S/C12H10.C2H3N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-2H,(H,3,4,5)
InChIKeyDADCHRIIDRATMM-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2H-triazole?
The IUPAC name of 1,1'-biphenyl;2H-triazole (CID 22905745) is 1,1'-biphenyl;2H-triazole.
What is the SMILES notation for 1,1'-biphenyl;2H-triazole?
The canonical SMILES for 1,1'-biphenyl;2H-triazole is c1ccc(-c2ccccc2)cc1.c1cn[nH]n1.
What is the InChIKey of 1,1'-biphenyl;2H-triazole?
The InChIKey is DADCHRIIDRATMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H3N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-2H,(H,3,4,5).
What are the key properties of 1,1'-biphenyl;2H-triazole?
1,1'-biphenyl;2H-triazole has a molecular weight of 223.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2H-triazole is sourced from PubChem (CID 22905745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).