2-tert-butyl-5-methyltetrazole

C6H12N4 — CID 14496305

IUPAC2-tert-butyl-5-methyltetrazole
SMILESCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C6H12N4/c1-5-7-9-10(8-5)6(2,3)4/h1-4H3
InChIKeyWACDNDXNBSEKRZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.74
Rot. Bonds

About 2-tert-butyl-5-methyltetrazole

2-tert-butyl-5-methyltetrazole (PubChem CID 14496305) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-tert-butyl-5-methyltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-methyltetrazole
PubChem CID14496305
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-tert-butyl-5-methyltetrazole
SMILESCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C6H12N4/c1-5-7-9-10(8-5)6(2,3)4/h1-4H3
InChIKeyWACDNDXNBSEKRZ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyltetrazole?
The IUPAC name of 2-tert-butyl-5-methyltetrazole (CID 14496305) is 2-tert-butyl-5-methyltetrazole.
What is the SMILES notation for 2-tert-butyl-5-methyltetrazole?
The canonical SMILES for 2-tert-butyl-5-methyltetrazole is Cc1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-methyltetrazole?
The InChIKey is WACDNDXNBSEKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5-7-9-10(8-5)6(2,3)4/h1-4H3.
What are the key properties of 2-tert-butyl-5-methyltetrazole?
2-tert-butyl-5-methyltetrazole has a molecular weight of 140.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyltetrazole is sourced from PubChem (CID 14496305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).