5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole

C10H16N6 — CID 71883675

IUPAC5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole
SMILESCC(C)(C)c1nnnn1CCn1cccn1
InChIInChI=1S/C10H16N6/c1-10(2,3)9-12-13-14-16(9)8-7-15-6-4-5-11-15/h4-6H,7-8H2,1-3H3
InChIKeyPWZUJSLFZSVOEH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.87
Rot. Bonds3

About 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole

5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole (PubChem CID 71883675) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole.

Molecular Properties

Compound Name5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole
PubChem CID71883675
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole
SMILESCC(C)(C)c1nnnn1CCn1cccn1
InChIInChI=1S/C10H16N6/c1-10(2,3)9-12-13-14-16(9)8-7-15-6-4-5-11-15/h4-6H,7-8H2,1-3H3
InChIKeyPWZUJSLFZSVOEH-UHFFFAOYSA-N
XLogP0.87
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole?
The IUPAC name of 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole (CID 71883675) is 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole.
What is the SMILES notation for 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole?
The canonical SMILES for 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole is CC(C)(C)c1nnnn1CCn1cccn1.
What is the InChIKey of 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole?
The InChIKey is PWZUJSLFZSVOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-10(2,3)9-12-13-14-16(9)8-7-15-6-4-5-11-15/h4-6H,7-8H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole?
5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole has a molecular weight of 220.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole is sourced from PubChem (CID 71883675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).