3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one

C9H16N4O2 — CID 107047503

IUPAC3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCOC(C)(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H16N4O2/c1-5-15-9(2,3)7(14)6-8-10-12-13(4)11-8/h5-6H2,1-4H3
InChIKeyTWEUDXYWWWWYFB-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.14
Rot. Bonds5

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

3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107047503) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107047503
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCOC(C)(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H16N4O2/c1-5-15-9(2,3)7(14)6-8-10-12-13(4)11-8/h5-6H2,1-4H3
InChIKeyTWEUDXYWWWWYFB-UHFFFAOYSA-N
XLogP0.14
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-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

Related Compounds

1-Methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107046931
1-(2-Methyltetrazol-5-yl)-3-propoxypropan-2-one
CID 107046955
3-Ethoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047078
1-Ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047179
3-Methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047268
3-Methoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047283
1-(1-Methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047475
3-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047478
3-Ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047481
3-Ethoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107047485
3-Methoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107047487
3-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047489

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107047503) is 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one is CCOC(C)(C)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is TWEUDXYWWWWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5-15-9(2,3)7(14)6-8-10-12-13(4)11-8/h5-6H2,1-4H3.
What are the key properties of 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 212.25 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107047503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).