1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one

C16H16N4O — CID 175092025

IUPAC1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nn[nH]n1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H6N4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3(9)2-4-5-7-8-6-4/h1-10H;2H2,1H3,(H,5,6,7,8)
InChIKeyVVWNFKKKGQTQMY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.68
Rot. Bonds3

About 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one

1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one (PubChem CID 175092025) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
PubChem CID175092025
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nn[nH]n1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H6N4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3(9)2-4-5-7-8-6-4/h1-10H;2H2,1H3,(H,5,6,7,8)
InChIKeyVVWNFKKKGQTQMY-UHFFFAOYSA-N
XLogP2.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one?
The IUPAC name of 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one (CID 175092025) is 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one?
The canonical SMILES for 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one is CC(=O)Cc1nn[nH]n1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one?
The InChIKey is VVWNFKKKGQTQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H6N4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3(9)2-4-5-7-8-6-4/h1-10H;2H2,1H3,(H,5,6,7,8).
What are the key properties of 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one?
1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one is sourced from PubChem (CID 175092025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).