2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone

C16H15N5O — CID 1463683

IUPAC2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C16H15N5O/c1-11-2-4-12(5-3-11)15(22)10-21-19-16(18-20-21)13-6-8-14(17)9-7-13/h2-9H,10,17H2,1H3
InChIKeyFSMHZJRBZOYZTJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.11
Rot. Bonds4

About 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone

2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone (PubChem CID 1463683) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone
PubChem CID1463683
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C16H15N5O/c1-11-2-4-12(5-3-11)15(22)10-21-19-16(18-20-21)13-6-8-14(17)9-7-13/h2-9H,10,17H2,1H3
InChIKeyFSMHZJRBZOYZTJ-UHFFFAOYSA-N
XLogP2.11
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone (CID 1463683) is 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is FSMHZJRBZOYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-2-4-12(5-3-11)15(22)10-21-19-16(18-20-21)13-6-8-14(17)9-7-13/h2-9H,10,17H2,1H3.
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone?
2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 293.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 1463683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).