1-bromo-5-(2-methylpropyl)tetrazole

C5H9BrN4 — CID 69031803

IUPAC1-bromo-5-(2-methylpropyl)tetrazole
SMILESCC(C)Cc1nnnn1Br
InChIInChI=1S/C5H9BrN4/c1-4(2)3-5-7-8-9-10(5)6/h4H,3H2,1-2H3
InChIKeyULDOVRCOZFHZPE-UHFFFAOYSA-N
MW205.06 g/mol
LogP1.03
Rot. Bonds2

About 1-bromo-5-(2-methylpropyl)tetrazole

1-bromo-5-(2-methylpropyl)tetrazole (PubChem CID 69031803) has the molecular formula C5H9BrN4 and a molecular weight of 205.06 g/mol. Its IUPAC name is 1-bromo-5-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name1-bromo-5-(2-methylpropyl)tetrazole
PubChem CID69031803
Molecular FormulaC5H9BrN4
Molecular Weight205.06 g/mol
Exact Mass204.00
IUPAC Name1-bromo-5-(2-methylpropyl)tetrazole
SMILESCC(C)Cc1nnnn1Br
InChIInChI=1S/C5H9BrN4/c1-4(2)3-5-7-8-9-10(5)6/h4H,3H2,1-2H3
InChIKeyULDOVRCOZFHZPE-UHFFFAOYSA-N
XLogP1.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(2-methylpropyl)tetrazole?
The IUPAC name of 1-bromo-5-(2-methylpropyl)tetrazole (CID 69031803) is 1-bromo-5-(2-methylpropyl)tetrazole.
What is the SMILES notation for 1-bromo-5-(2-methylpropyl)tetrazole?
The canonical SMILES for 1-bromo-5-(2-methylpropyl)tetrazole is CC(C)Cc1nnnn1Br.
What is the InChIKey of 1-bromo-5-(2-methylpropyl)tetrazole?
The InChIKey is ULDOVRCOZFHZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN4/c1-4(2)3-5-7-8-9-10(5)6/h4H,3H2,1-2H3.
What are the key properties of 1-bromo-5-(2-methylpropyl)tetrazole?
1-bromo-5-(2-methylpropyl)tetrazole has a molecular weight of 205.06 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(2-methylpropyl)tetrazole is sourced from PubChem (CID 69031803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).