methyl 2-(5-formyltetrazol-2-yl)acetate

C5H6N4O3 — CID 86053855

IUPACmethyl 2-(5-formyltetrazol-2-yl)acetate
SMILESCOC(=O)Cn1nnc(C=O)n1
InChIInChI=1S/C5H6N4O3/c1-12-5(11)2-9-7-4(3-10)6-8-9/h3H,2H2,1H3
InChIKeyMEZGORJSGXUWIY-UHFFFAOYSA-N
MW170.13 g/mol
LogP-1.34
Rot. Bonds3

About methyl 2-(5-formyltetrazol-2-yl)acetate

methyl 2-(5-formyltetrazol-2-yl)acetate (PubChem CID 86053855) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is methyl 2-(5-formyltetrazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-formyltetrazol-2-yl)acetate
PubChem CID86053855
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Namemethyl 2-(5-formyltetrazol-2-yl)acetate
SMILESCOC(=O)Cn1nnc(C=O)n1
InChIInChI=1S/C5H6N4O3/c1-12-5(11)2-9-7-4(3-10)6-8-9/h3H,2H2,1H3
InChIKeyMEZGORJSGXUWIY-UHFFFAOYSA-N
XLogP-1.34
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 2-(5-formyltetrazol-2-yl)acetate 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 methyl 2-(5-formyltetrazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-formyltetrazol-2-yl)acetate (CID 86053855) is methyl 2-(5-formyltetrazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-formyltetrazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-formyltetrazol-2-yl)acetate is COC(=O)Cn1nnc(C=O)n1.
What is the InChIKey of methyl 2-(5-formyltetrazol-2-yl)acetate?
The InChIKey is MEZGORJSGXUWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c1-12-5(11)2-9-7-4(3-10)6-8-9/h3H,2H2,1H3.
What are the key properties of methyl 2-(5-formyltetrazol-2-yl)acetate?
methyl 2-(5-formyltetrazol-2-yl)acetate has a molecular weight of 170.13 g/mol, XLogP of -1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-formyltetrazol-2-yl)acetate is sourced from PubChem (CID 86053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).