1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one

C16H15N5O — CID 163605532

IUPAC1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one
SMILESNc1nnnn1-c1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H15N5O/c17-16-18-19-20-21(16)14-9-5-4-8-13(14)15(22)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,20)
InChIKeyHBKVFGDAQIJQJD-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds5

About 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one

1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one (PubChem CID 163605532) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one
PubChem CID163605532
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one
SMILESNc1nnnn1-c1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H15N5O/c17-16-18-19-20-21(16)14-9-5-4-8-13(14)15(22)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,20)
InChIKeyHBKVFGDAQIJQJD-UHFFFAOYSA-N
XLogP2.06
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one (CID 163605532) is 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one is Nc1nnnn1-c1ccccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one?
The InChIKey is HBKVFGDAQIJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-16-18-19-20-21(16)14-9-5-4-8-13(14)15(22)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,20).
What are the key properties of 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one?
1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one has a molecular weight of 293.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-aminotetrazol-1-yl)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 163605532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).