1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one

C7H12N4O2 — CID 107047179

IUPAC1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCCOCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H12N4O2/c1-3-13-5-6(12)4-7-8-10-11(2)9-7/h3-5H2,1-2H3
InChIKeyOEMYEFDMZOQKKL-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.64
Rot. Bonds5

About 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one

1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107047179) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107047179
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCCOCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H12N4O2/c1-3-13-5-6(12)4-7-8-10-11(2)9-7/h3-5H2,1-2H3
InChIKeyOEMYEFDMZOQKKL-UHFFFAOYSA-N
XLogP-0.64
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one 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-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107047179) is 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one is CCOCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is OEMYEFDMZOQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-13-5-6(12)4-7-8-10-11(2)9-7/h3-5H2,1-2H3.
What are the key properties of 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 184.20 g/mol, XLogP of -0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107047179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).