5-(2,2-dimethylpropoxymethyl)-2H-tetrazole

C7H14N4O — CID 155579956

IUPAC5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
SMILESCC(C)(C)COCc1nn[nH]n1
InChIInChI=1S/C7H14N4O/c1-7(2,3)5-12-4-6-8-10-11-9-6/h4-5H2,1-3H3,(H,8,9,10,11)
InChIKeyJJXOEANZDGEQNF-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.76
Rot. Bonds3

About 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole

5-(2,2-dimethylpropoxymethyl)-2H-tetrazole (PubChem CID 155579956) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
PubChem CID155579956
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
SMILESCC(C)(C)COCc1nn[nH]n1
InChIInChI=1S/C7H14N4O/c1-7(2,3)5-12-4-6-8-10-11-9-6/h4-5H2,1-3H3,(H,8,9,10,11)
InChIKeyJJXOEANZDGEQNF-UHFFFAOYSA-N
XLogP0.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole?
The IUPAC name of 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole (CID 155579956) is 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole?
The canonical SMILES for 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole is CC(C)(C)COCc1nn[nH]n1.
What is the InChIKey of 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole?
The InChIKey is JJXOEANZDGEQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-7(2,3)5-12-4-6-8-10-11-9-6/h4-5H2,1-3H3,(H,8,9,10,11).
What are the key properties of 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole?
5-(2,2-dimethylpropoxymethyl)-2H-tetrazole has a molecular weight of 170.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxymethyl)-2H-tetrazole is sourced from PubChem (CID 155579956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).