1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

C8H12N4O3 — CID 107063508

IUPAC1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2COCCO2)n1
InChIInChI=1S/C8H12N4O3/c1-12-10-8(9-11-12)4-6(13)7-5-14-2-3-15-7/h7H,2-5H2,1H3
InChIKeyDGGHHJGJXCJQPQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.26
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063508) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063508
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2COCCO2)n1
InChIInChI=1S/C8H12N4O3/c1-12-10-8(9-11-12)4-6(13)7-5-14-2-3-15-7/h7H,2-5H2,1H3
InChIKeyDGGHHJGJXCJQPQ-UHFFFAOYSA-N
XLogP-1.26
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone 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

3-Ethoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047078
3-Methoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047283
3-Ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047481
4-(2-Methoxyethoxy)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047567
4-Ethoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047685
1-(2-Methyltetrazol-5-yl)-4-propoxybutan-2-one
CID 107063412
1-(2-Methyltetrazol-5-yl)-3-propan-2-yloxypropan-2-one
CID 107063510
1-(2-Methoxyethoxy)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 108053653
1,4-Dioxan-2-yl-(2-methyltetrazol-5-yl)methanone
CID 130877928

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063508) is 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2COCCO2)n1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is DGGHHJGJXCJQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-12-10-8(9-11-12)4-6(13)7-5-14-2-3-15-7/h7H,2-5H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 212.21 g/mol, XLogP of -1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).