2-propan-2-yl-5-(trichloromethyl)tetrazole

C5H7Cl3N4 — CID 69030664

IUPAC2-propan-2-yl-5-(trichloromethyl)tetrazole
SMILESCC(C)n1nnc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H7Cl3N4/c1-3(2)12-10-4(9-11-12)5(6,7)8/h3H,1-2H3
InChIKeyFFLYVBSLUQYLQC-UHFFFAOYSA-N
MW229.50 g/mol
LogP2.08
Rot. Bonds1

About 2-propan-2-yl-5-(trichloromethyl)tetrazole

2-propan-2-yl-5-(trichloromethyl)tetrazole (PubChem CID 69030664) has the molecular formula C5H7Cl3N4 and a molecular weight of 229.50 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trichloromethyl)tetrazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(trichloromethyl)tetrazole
PubChem CID69030664
Molecular FormulaC5H7Cl3N4
Molecular Weight229.50 g/mol
Exact Mass227.97
IUPAC Name2-propan-2-yl-5-(trichloromethyl)tetrazole
SMILESCC(C)n1nnc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H7Cl3N4/c1-3(2)12-10-4(9-11-12)5(6,7)8/h3H,1-2H3
InChIKeyFFLYVBSLUQYLQC-UHFFFAOYSA-N
XLogP2.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.50
LogP ≤ 52.08
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

2,5-di(propan-2-yl)tetrazole
CID 21054922
2-(2-methylpropyl)-5-(trichloromethyl)tetrazole
CID 69035182
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660176
2-butyl-5-(trichloromethyl)tetrazole
CID 69031638
5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
CID 143805437
2-(2-propan-2-yltetrazol-5-yl)acetonitrile
CID 84763253
5-chloro-2-(2-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18709043
3-(2-propan-2-yltetrazol-5-yl)propan-1-amine
CID 84653524
N-methyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine
CID 84653523
[4-(2-propan-2-yltetrazol-5-yl)phenyl]methanol
CID 84786119
1-methyl-4-propan-2-yl-5-(trichloromethyl)triazole
CID 69388327

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trichloromethyl)tetrazole?
The IUPAC name of 2-propan-2-yl-5-(trichloromethyl)tetrazole (CID 69030664) is 2-propan-2-yl-5-(trichloromethyl)tetrazole.
What is the SMILES notation for 2-propan-2-yl-5-(trichloromethyl)tetrazole?
The canonical SMILES for 2-propan-2-yl-5-(trichloromethyl)tetrazole is CC(C)n1nnc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-propan-2-yl-5-(trichloromethyl)tetrazole?
The InChIKey is FFLYVBSLUQYLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3N4/c1-3(2)12-10-4(9-11-12)5(6,7)8/h3H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trichloromethyl)tetrazole?
2-propan-2-yl-5-(trichloromethyl)tetrazole has a molecular weight of 229.50 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trichloromethyl)tetrazole is sourced from PubChem (CID 69030664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).