2-(butoxymethyl)-5-methyltetrazole

C7H14N4O — CID 89361485

IUPAC2-(butoxymethyl)-5-methyltetrazole
SMILESCCCCOCn1nnc(C)n1
InChIInChI=1S/C7H14N4O/c1-3-4-5-12-6-11-9-7(2)8-10-11/h3-6H2,1-2H3
InChIKeyUIRUCFVKCFJAOK-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.76
Rot. Bonds5

About 2-(butoxymethyl)-5-methyltetrazole

2-(butoxymethyl)-5-methyltetrazole (PubChem CID 89361485) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-(butoxymethyl)-5-methyltetrazole.

Molecular Properties

Compound Name2-(butoxymethyl)-5-methyltetrazole
PubChem CID89361485
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-(butoxymethyl)-5-methyltetrazole
SMILESCCCCOCn1nnc(C)n1
InChIInChI=1S/C7H14N4O/c1-3-4-5-12-6-11-9-7(2)8-10-11/h3-6H2,1-2H3
InChIKeyUIRUCFVKCFJAOK-UHFFFAOYSA-N
XLogP0.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-5-methyltetrazole?
The IUPAC name of 2-(butoxymethyl)-5-methyltetrazole (CID 89361485) is 2-(butoxymethyl)-5-methyltetrazole.
What is the SMILES notation for 2-(butoxymethyl)-5-methyltetrazole?
The canonical SMILES for 2-(butoxymethyl)-5-methyltetrazole is CCCCOCn1nnc(C)n1.
What is the InChIKey of 2-(butoxymethyl)-5-methyltetrazole?
The InChIKey is UIRUCFVKCFJAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-4-5-12-6-11-9-7(2)8-10-11/h3-6H2,1-2H3.
What are the key properties of 2-(butoxymethyl)-5-methyltetrazole?
2-(butoxymethyl)-5-methyltetrazole has a molecular weight of 170.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-5-methyltetrazole is sourced from PubChem (CID 89361485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).