ethyl 2-(5-methyltetrazol-2-yl)acetate

C6H10N4O2 — CID 23260917

IUPACethyl 2-(5-methyltetrazol-2-yl)acetate
SMILESCCOC(=O)Cn1nnc(C)n1
InChIInChI=1S/C6H10N4O2/c1-3-12-6(11)4-10-8-5(2)7-9-10/h3-4H2,1-2H3
InChIKeyDUOYZFQKBOATLS-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.46
Rot. Bonds3

About ethyl 2-(5-methyltetrazol-2-yl)acetate

ethyl 2-(5-methyltetrazol-2-yl)acetate (PubChem CID 23260917) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-(5-methyltetrazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyltetrazol-2-yl)acetate
PubChem CID23260917
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Nameethyl 2-(5-methyltetrazol-2-yl)acetate
SMILESCCOC(=O)Cn1nnc(C)n1
InChIInChI=1S/C6H10N4O2/c1-3-12-6(11)4-10-8-5(2)7-9-10/h3-4H2,1-2H3
InChIKeyDUOYZFQKBOATLS-UHFFFAOYSA-N
XLogP-0.46
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 ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyltetrazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-methyltetrazol-2-yl)acetate (CID 23260917) is ethyl 2-(5-methyltetrazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyltetrazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyltetrazol-2-yl)acetate is CCOC(=O)Cn1nnc(C)n1.
What is the InChIKey of ethyl 2-(5-methyltetrazol-2-yl)acetate?
The InChIKey is DUOYZFQKBOATLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-12-6(11)4-10-8-5(2)7-9-10/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(5-methyltetrazol-2-yl)acetate?
ethyl 2-(5-methyltetrazol-2-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyltetrazol-2-yl)acetate is sourced from PubChem (CID 23260917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).