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

C9H18N4 — CID 69030228

IUPAC5-tert-butyl-2-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-7(2)6-13-11-8(10-12-13)9(3,4)5/h7H,6H2,1-5H3
InChIKeyMKLMZOQOONADDX-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.63
Rot. Bonds2

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

5-tert-butyl-2-(2-methylpropyl)tetrazole (PubChem CID 69030228) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methylpropyl)tetrazole
PubChem CID69030228
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-tert-butyl-2-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-7(2)6-13-11-8(10-12-13)9(3,4)5/h7H,6H2,1-5H3
InChIKeyMKLMZOQOONADDX-UHFFFAOYSA-N
XLogP1.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methylpropyl)tetrazole?
The IUPAC name of 5-tert-butyl-2-(2-methylpropyl)tetrazole (CID 69030228) is 5-tert-butyl-2-(2-methylpropyl)tetrazole.
What is the SMILES notation for 5-tert-butyl-2-(2-methylpropyl)tetrazole?
The canonical SMILES for 5-tert-butyl-2-(2-methylpropyl)tetrazole is CC(C)Cn1nnc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-2-(2-methylpropyl)tetrazole?
The InChIKey is MKLMZOQOONADDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)6-13-11-8(10-12-13)9(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(2-methylpropyl)tetrazole?
5-tert-butyl-2-(2-methylpropyl)tetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methylpropyl)tetrazole is sourced from PubChem (CID 69030228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).