2-tert-butyl-5-(trideuteriomethyl)tetrazole

C6H12N4 — CID 167408106

IUPAC2-tert-butyl-5-(trideuteriomethyl)tetrazole
SMILES[2H]C([2H])([2H])c1nnn(C(C)(C)C)n1
InChIInChI=1S/C6H12N4/c1-5-7-9-10(8-5)6(2,3)4/h1-4H3/i1D3
InChIKeyWACDNDXNBSEKRZ-FIBGUPNXSA-N
MW143.21 g/mol
LogP0.74
Rot. Bonds1

About 2-tert-butyl-5-(trideuteriomethyl)tetrazole

2-tert-butyl-5-(trideuteriomethyl)tetrazole (PubChem CID 167408106) has the molecular formula C6H12N4 and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-tert-butyl-5-(trideuteriomethyl)tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-(trideuteriomethyl)tetrazole
PubChem CID167408106
Molecular FormulaC6H12N4
Molecular Weight143.21 g/mol
Exact Mass143.13
IUPAC Name2-tert-butyl-5-(trideuteriomethyl)tetrazole
SMILES[2H]C([2H])([2H])c1nnn(C(C)(C)C)n1
InChIInChI=1S/C6H12N4/c1-5-7-9-10(8-5)6(2,3)4/h1-4H3/i1D3
InChIKeyWACDNDXNBSEKRZ-FIBGUPNXSA-N
XLogP0.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-t-Butyl-5-methyltetrazole
CID 14496305
2-tert-Butyl-5-trifluoromethyl-2H-tetrazole
CID 14711744
2,5-Di-tert-butyl-2H-tetrazole
CID 15939362
2-tert-butyl-5-ethynyl-2H-1,2,3,4-tetrazole
CID 145875178
2-Methyl-5-ethyltetrazole
CID 10011883
5-(Chloromethyl)-2-(1,1-dimethylethyl)-2H-tetrazole
CID 13634096
2-Isopropyl-5-methyltetrazole
CID 15724017
2-Methyl-5-(2-propyl)-tetrazole
CID 23551500
2-Tert-butyl-5-(difluoromethyl)tetrazole
CID 167408157
2-Tert-butyl-5-cyclopropyltetrazole
CID 21625951
2,3,5-Trimethyltetrazol-2-ium
CID 15061461
2-Butan-2-yl-5-methyltetrazole
CID 15724019

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(trideuteriomethyl)tetrazole?
The IUPAC name of 2-tert-butyl-5-(trideuteriomethyl)tetrazole (CID 167408106) is 2-tert-butyl-5-(trideuteriomethyl)tetrazole.
What is the SMILES notation for 2-tert-butyl-5-(trideuteriomethyl)tetrazole?
The canonical SMILES for 2-tert-butyl-5-(trideuteriomethyl)tetrazole is [2H]C([2H])([2H])c1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-(trideuteriomethyl)tetrazole?
The InChIKey is WACDNDXNBSEKRZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H12N4/c1-5-7-9-10(8-5)6(2,3)4/h1-4H3/i1D3.
What are the key properties of 2-tert-butyl-5-(trideuteriomethyl)tetrazole?
2-tert-butyl-5-(trideuteriomethyl)tetrazole has a molecular weight of 143.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(trideuteriomethyl)tetrazole is sourced from PubChem (CID 167408106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).