2-bromo-N-(1-methyltetrazol-5-yl)acetamide

C4H6BrN5O — CID 155684843

IUPAC2-bromo-N-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1NC(=O)CBr
InChIInChI=1S/C4H6BrN5O/c1-10-4(7-8-9-10)6-3(11)2-5/h2H2,1H3,(H,6,7,9,11)
InChIKeySPXFMNWBBJLVRB-UHFFFAOYSA-N
MW220.03 g/mol
LogP-0.46
Rot. Bonds2

About 2-bromo-N-(1-methyltetrazol-5-yl)acetamide

2-bromo-N-(1-methyltetrazol-5-yl)acetamide (PubChem CID 155684843) has the molecular formula C4H6BrN5O and a molecular weight of 220.03 g/mol. Its IUPAC name is 2-bromo-N-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1-methyltetrazol-5-yl)acetamide
PubChem CID155684843
Molecular FormulaC4H6BrN5O
Molecular Weight220.03 g/mol
Exact Mass218.98
IUPAC Name2-bromo-N-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1NC(=O)CBr
InChIInChI=1S/C4H6BrN5O/c1-10-4(7-8-9-10)6-3(11)2-5/h2H2,1H3,(H,6,7,9,11)
InChIKeySPXFMNWBBJLVRB-UHFFFAOYSA-N
XLogP-0.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-bromo-N-(1-methyltetrazol-5-yl)acetamide (CID 155684843) is 2-bromo-N-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-bromo-N-(1-methyltetrazol-5-yl)acetamide is Cn1nnnc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is SPXFMNWBBJLVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN5O/c1-10-4(7-8-9-10)6-3(11)2-5/h2H2,1H3,(H,6,7,9,11).
What are the key properties of 2-bromo-N-(1-methyltetrazol-5-yl)acetamide?
2-bromo-N-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 220.03 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 155684843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).