1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole

C9H17ClN4O — CID 103084495

IUPAC1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
SMILESCCCCOCCn1nnnc1C(C)Cl
InChIInChI=1S/C9H17ClN4O/c1-3-4-6-15-7-5-14-9(8(2)10)11-12-13-14/h8H,3-7H2,1-2H3
InChIKeyUJUFFDCUBSTGFO-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.79
Rot. Bonds7

About 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole

1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole (PubChem CID 103084495) has the molecular formula C9H17ClN4O and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole.

Molecular Properties

Compound Name1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
PubChem CID103084495
Molecular FormulaC9H17ClN4O
Molecular Weight232.71 g/mol
Exact Mass232.11
IUPAC Name1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
SMILESCCCCOCCn1nnnc1C(C)Cl
InChIInChI=1S/C9H17ClN4O/c1-3-4-6-15-7-5-14-9(8(2)10)11-12-13-14/h8H,3-7H2,1-2H3
InChIKeyUJUFFDCUBSTGFO-UHFFFAOYSA-N
XLogP1.79
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole?
The IUPAC name of 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole (CID 103084495) is 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole.
What is the SMILES notation for 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole?
The canonical SMILES for 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole is CCCCOCCn1nnnc1C(C)Cl.
What is the InChIKey of 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole?
The InChIKey is UJUFFDCUBSTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN4O/c1-3-4-6-15-7-5-14-9(8(2)10)11-12-13-14/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole?
1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole has a molecular weight of 232.71 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole is sourced from PubChem (CID 103084495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).