1-phenyl-5-(trichloromethyl)tetrazole

C8H5Cl3N4 — CID 69031476

IUPAC1-phenyl-5-(trichloromethyl)tetrazole
SMILESClC(Cl)(Cl)c1nnnn1-c1ccccc1
InChIInChI=1S/C8H5Cl3N4/c9-8(10,11)7-12-13-14-15(7)6-4-2-1-3-5-6/h1-5H
InChIKeyAEJHTGIQCSUHAM-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.49
Rot. Bonds1

About 1-phenyl-5-(trichloromethyl)tetrazole

1-phenyl-5-(trichloromethyl)tetrazole (PubChem CID 69031476) has the molecular formula C8H5Cl3N4 and a molecular weight of 263.52 g/mol. Its IUPAC name is 1-phenyl-5-(trichloromethyl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(trichloromethyl)tetrazole
PubChem CID69031476
Molecular FormulaC8H5Cl3N4
Molecular Weight263.52 g/mol
Exact Mass261.96
IUPAC Name1-phenyl-5-(trichloromethyl)tetrazole
SMILESClC(Cl)(Cl)c1nnnn1-c1ccccc1
InChIInChI=1S/C8H5Cl3N4/c9-8(10,11)7-12-13-14-15(7)6-4-2-1-3-5-6/h1-5H
InChIKeyAEJHTGIQCSUHAM-UHFFFAOYSA-N
XLogP2.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
N-methyl-2-(1-phenyltetrazol-5-yl)propan-2-amine
CID 53009736
1-phenyltetrazole-5-selenol
CID 173399228
1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole
CID 5340220
5-ethenyl-1-phenyltetrazole
CID 12753529
azanium 1-phenyltetrazole-5-thiolate
CID 15902281
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-phenyltetrazole-5-carbonitrile
CID 12718731
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine
CID 51698124
5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(trichloromethyl)tetrazole?
The IUPAC name of 1-phenyl-5-(trichloromethyl)tetrazole (CID 69031476) is 1-phenyl-5-(trichloromethyl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(trichloromethyl)tetrazole?
The canonical SMILES for 1-phenyl-5-(trichloromethyl)tetrazole is ClC(Cl)(Cl)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-(trichloromethyl)tetrazole?
The InChIKey is AEJHTGIQCSUHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3N4/c9-8(10,11)7-12-13-14-15(7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1-phenyl-5-(trichloromethyl)tetrazole?
1-phenyl-5-(trichloromethyl)tetrazole has a molecular weight of 263.52 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(trichloromethyl)tetrazole is sourced from PubChem (CID 69031476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).