1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone

C15H12N4O — CID 853140

IUPAC1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H12N4O/c20-14(12-7-3-1-4-8-12)11-19-17-15(16-18-19)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLHUDGSUKIYGFTM-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.22
Rot. Bonds4

About 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone

1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 853140) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID853140
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H12N4O/c20-14(12-7-3-1-4-8-12)11-19-17-15(16-18-19)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLHUDGSUKIYGFTM-UHFFFAOYSA-N
XLogP2.22
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-(5-phenyl-1H-tetrazol-1-yl)propan-1-one
CID 46890466
N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 135357401
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357457
4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide
CID 135357575
2-(5-Phenyl-tetrazol-2-yl)-1-p-tolyl-ethanone
CID 680769
2-(5-phenyl(1,2,3,4-tetraazol-2-yl))-N-(phenylcarbonylamino)acetamide
CID 855977
1-Azolyl-4-phenyl-2-butanone, 43
CID 44604419
1-(4-Chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 1241565
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzamide
CID 497168
1-(4-Chlorophenyl)-2-(5-phenyl-2H-tetrazol-2-yl)ethanone
CID 764064
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-p-tolyl-ethanone
CID 1463683
2-[5-[3,5-Bis(trifluoromethyl)phenyl]tetrazol-2-yl]-1-(4-chlorophenyl)ethanone
CID 2730358

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone (CID 853140) is 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is LHUDGSUKIYGFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-14(12-7-3-1-4-8-12)11-19-17-15(16-18-19)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone?
1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 264.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 853140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).