2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one

C6H10N4O2 — CID 130834248

IUPAC2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCOC(C)C(=O)c1nnn(C)n1
InChIInChI=1S/C6H10N4O2/c1-4(12-3)5(11)6-7-9-10(2)8-6/h4H,1-3H3
InChIKeyMNJBEZSYGARAST-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.57
Rot. Bonds3

About 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one

2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 130834248) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID130834248
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCOC(C)C(=O)c1nnn(C)n1
InChIInChI=1S/C6H10N4O2/c1-4(12-3)5(11)6-7-9-10(2)8-6/h4H,1-3H3
InChIKeyMNJBEZSYGARAST-UHFFFAOYSA-N
XLogP-0.57
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-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-Ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047179
3-Methoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047283
1-(2-Methyltetrazol-5-yl)-3-propan-2-yloxypropan-2-one
CID 107063510
2-Methoxy-1-(2-methyltetrazol-5-yl)ethanone
CID 127004792
1,4-Dioxan-2-yl-(2-methyltetrazol-5-yl)methanone
CID 130877928

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one (CID 130834248) is 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one is COC(C)C(=O)c1nnn(C)n1.
What is the InChIKey of 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is MNJBEZSYGARAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(12-3)5(11)6-7-9-10(2)8-6/h4H,1-3H3.
What are the key properties of 2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one?
2-methoxy-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 170.17 g/mol, XLogP of -0.57, 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)propan-1-one is sourced from PubChem (CID 130834248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).