5-(2,2-dimethylpropyl)-2-ethyltetrazole

C8H16N4 — CID 69032111

IUPAC5-(2,2-dimethylpropyl)-2-ethyltetrazole
SMILESCCn1nnc(CC(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-5-12-10-7(9-11-12)6-8(2,3)4/h5-6H2,1-4H3
InChIKeyJFACZRVQSDHFAA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.28
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-2-ethyltetrazole

5-(2,2-dimethylpropyl)-2-ethyltetrazole (PubChem CID 69032111) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-ethyltetrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-ethyltetrazole
PubChem CID69032111
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-(2,2-dimethylpropyl)-2-ethyltetrazole
SMILESCCn1nnc(CC(C)(C)C)n1
InChIInChI=1S/C8H16N4/c1-5-12-10-7(9-11-12)6-8(2,3)4/h5-6H2,1-4H3
InChIKeyJFACZRVQSDHFAA-UHFFFAOYSA-N
XLogP1.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-ethyltetrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-ethyltetrazole (CID 69032111) is 5-(2,2-dimethylpropyl)-2-ethyltetrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-ethyltetrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-ethyltetrazole is CCn1nnc(CC(C)(C)C)n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-ethyltetrazole?
The InChIKey is JFACZRVQSDHFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-12-10-7(9-11-12)6-8(2,3)4/h5-6H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-ethyltetrazole?
5-(2,2-dimethylpropyl)-2-ethyltetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-ethyltetrazole is sourced from PubChem (CID 69032111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).