2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole

C12H22N8 — CID 660408

IUPAC2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
SMILESCC(C)(C)n1nnc(CCc2nnn(C(C)(C)C)n2)n1
InChIInChI=1S/C12H22N8/c1-11(2,3)19-15-9(13-17-19)7-8-10-14-18-20(16-10)12(4,5)6/h7-8H2,1-6H3
InChIKeyYCJHNOZWGJENJV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.95
Rot. Bonds3

About 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole

2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole (PubChem CID 660408) has the molecular formula C12H22N8 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
PubChem CID660408
Molecular FormulaC12H22N8
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
SMILESCC(C)(C)n1nnc(CCc2nnn(C(C)(C)C)n2)n1
InChIInChI=1S/C12H22N8/c1-11(2,3)19-15-9(13-17-19)7-8-10-14-18-20(16-10)12(4,5)6/h7-8H2,1-6H3
InChIKeyYCJHNOZWGJENJV-UHFFFAOYSA-N
XLogP0.95
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole 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

2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole
CID 146144325
7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 146139765
2-tert-butyl-5-(trideuteriomethyl)tetrazole
CID 167408106
5-hexyl-2-(trifluoromethyl)tetrazole
CID 69032079
2-tert-butyl-5-ethenyltetrazole
CID 15185933
5-ethyl-2-(trichloromethyl)tetrazole
CID 69033862
2-(5-dodecyltetrazol-2-yl)-2-methylpropanoate
CID 21469547
2-[5-[(2-tert-butyltetrazol-5-yl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
CID 136551906
1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine
CID 167865382
2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole
CID 132970662
(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
CID 67291787
cis-(1S,2R)-2-[[2-(2-tert-butyltetrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583480

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole?
The IUPAC name of 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole (CID 660408) is 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole.
What is the SMILES notation for 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole?
The canonical SMILES for 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole is CC(C)(C)n1nnc(CCc2nnn(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole?
The InChIKey is YCJHNOZWGJENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N8/c1-11(2,3)19-15-9(13-17-19)7-8-10-14-18-20(16-10)12(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole?
2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole has a molecular weight of 278.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole is sourced from PubChem (CID 660408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).