2-tert-butyl-5-ethenyltetrazole

C7H12N4 — CID 15185933

IUPAC2-tert-butyl-5-ethenyltetrazole
SMILESC=Cc1nnn(C(C)(C)C)n1
InChIInChI=1S/C7H12N4/c1-5-6-8-10-11(9-6)7(2,3)4/h5H,1H2,2-4H3
InChIKeyXSZYOKRPRWXDGH-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.07
Rot. Bonds1

About 2-tert-butyl-5-ethenyltetrazole

2-tert-butyl-5-ethenyltetrazole (PubChem CID 15185933) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-tert-butyl-5-ethenyltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-ethenyltetrazole
PubChem CID15185933
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2-tert-butyl-5-ethenyltetrazole
SMILESC=Cc1nnn(C(C)(C)C)n1
InChIInChI=1S/C7H12N4/c1-5-6-8-10-11(9-6)7(2,3)4/h5H,1H2,2-4H3
InChIKeyXSZYOKRPRWXDGH-UHFFFAOYSA-N
XLogP1.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
CID 660408
2-tert-butyl-5-(trideuteriomethyl)tetrazole
CID 167408106
2-tert-butyl-5-hexan-3-yltetrazole
CID 170234498
[(2Z,5Z)-7-(2-tert-butyltetrazol-5-yl)octa-2,5,7-trien-3-yl]boronic acid
CID 142171069
[4-(2-tert-butyltetrazol-5-yl)phenyl]boronic acid
CID 11390931
2-tert-butyl-5-[(3R)-pyrrolidin-3-yl]tetrazole
CID 67389505
2,5-ditert-butyltetrazole;bis(1,4-ditert-butyltriazole)
CID 158597391
1,5-ditert-butyltetrazole;2,5-ditert-butyltetrazole;methane
CID 159039475
4,5-dibromo-2-tert-butyltriazole
CID 138552608
1-tert-butyl-3-ethenylpyrazole
CID 59860441
2-tert-butyl-5-(1-ethylpyrrolidin-3-yl)tetrazole
CID 90378801
1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine
CID 167865382

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethenyltetrazole?
The IUPAC name of 2-tert-butyl-5-ethenyltetrazole (CID 15185933) is 2-tert-butyl-5-ethenyltetrazole.
What is the SMILES notation for 2-tert-butyl-5-ethenyltetrazole?
The canonical SMILES for 2-tert-butyl-5-ethenyltetrazole is C=Cc1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-ethenyltetrazole?
The InChIKey is XSZYOKRPRWXDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-6-8-10-11(9-6)7(2,3)4/h5H,1H2,2-4H3.
What are the key properties of 2-tert-butyl-5-ethenyltetrazole?
2-tert-butyl-5-ethenyltetrazole has a molecular weight of 152.20 g/mol, XLogP of 1.07, 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-ethenyltetrazole is sourced from PubChem (CID 15185933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).