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

C5H8N4O2 — CID 127004792

IUPAC2-methoxy-1-(2-methyltetrazol-5-yl)ethanone
SMILESCOCC(=O)c1nnn(C)n1
InChIInChI=1S/C5H8N4O2/c1-9-7-5(6-8-9)4(10)3-11-2/h3H2,1-2H3
InChIKeyPHXBGQRWMGWSEC-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.96
Rot. Bonds3

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

2-methoxy-1-(2-methyltetrazol-5-yl)ethanone (PubChem CID 127004792) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-methyltetrazol-5-yl)ethanone
PubChem CID127004792
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-methoxy-1-(2-methyltetrazol-5-yl)ethanone
SMILESCOCC(=O)c1nnn(C)n1
InChIInChI=1S/C5H8N4O2/c1-9-7-5(6-8-9)4(10)3-11-2/h3H2,1-2H3
InChIKeyPHXBGQRWMGWSEC-UHFFFAOYSA-N
XLogP-0.96
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-(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

1-[(2-Methyltetrazol-5-yl)methoxy]propan-2-one
CID 157048987
1-Methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107046931
2-Methoxy-1-(2-methyltetrazol-5-yl)propan-1-one
CID 130834248

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone (CID 127004792) is 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone is COCC(=O)c1nnn(C)n1.
What is the InChIKey of 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is PHXBGQRWMGWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9-7-5(6-8-9)4(10)3-11-2/h3H2,1-2H3.
What are the key properties of 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone?
2-methoxy-1-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 156.15 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 127004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).