5-tert-butyl-2-methyltetrazole

C6H12N4 — CID 20725214

IUPAC5-tert-butyl-2-methyltetrazole
SMILESCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C6H12N4/c1-6(2,3)5-7-9-10(4)8-5/h1-4H3
InChIKeyQNMYLGWSRDIXGS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds

About 5-tert-butyl-2-methyltetrazole

5-tert-butyl-2-methyltetrazole (PubChem CID 20725214) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-tert-butyl-2-methyltetrazole.

Molecular Properties

Compound Name5-tert-butyl-2-methyltetrazole
PubChem CID20725214
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-tert-butyl-2-methyltetrazole
SMILESCn1nnc(C(C)(C)C)n1
InChIInChI=1S/C6H12N4/c1-6(2,3)5-7-9-10(4)8-5/h1-4H3
InChIKeyQNMYLGWSRDIXGS-UHFFFAOYSA-N
XLogP0.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
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-methyltetrazole?
The IUPAC name of 5-tert-butyl-2-methyltetrazole (CID 20725214) is 5-tert-butyl-2-methyltetrazole.
What is the SMILES notation for 5-tert-butyl-2-methyltetrazole?
The canonical SMILES for 5-tert-butyl-2-methyltetrazole is Cn1nnc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-2-methyltetrazole?
The InChIKey is QNMYLGWSRDIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2,3)5-7-9-10(4)8-5/h1-4H3.
What are the key properties of 5-tert-butyl-2-methyltetrazole?
5-tert-butyl-2-methyltetrazole has a molecular weight of 140.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyltetrazole is sourced from PubChem (CID 20725214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).