1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

C10H16N4O2 — CID 107047353

IUPAC1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(C)CCCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-10(5-3-4-6-16-10)8(15)7-9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeyOCIPCKTTWHGIRF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.28
Rot. Bonds3

About 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047353) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047353
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(C)CCCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-10(5-3-4-6-16-10)8(15)7-9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeyOCIPCKTTWHGIRF-UHFFFAOYSA-N
XLogP0.28
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyloxan-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047353) is 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(C)CCCCO2)n1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is OCIPCKTTWHGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(5-3-4-6-16-10)8(15)7-9-11-13-14(2)12-9/h3-7H2,1-2H3.
What are the key properties of 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).