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

C6H10N4O2 — CID 59069151

IUPACmethyl 2-(5-ethyltetrazol-2-yl)acetate
SMILESCCc1nnn(CC(=O)OC)n1
InChIInChI=1S/C6H10N4O2/c1-3-5-7-9-10(8-5)4-6(11)12-2/h3-4H2,1-2H3
InChIKeyIDPAXWOEVSGGNF-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.59
Rot. Bonds3

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

methyl 2-(5-ethyltetrazol-2-yl)acetate (PubChem CID 59069151) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 2-(5-ethyltetrazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-ethyltetrazol-2-yl)acetate
PubChem CID59069151
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Namemethyl 2-(5-ethyltetrazol-2-yl)acetate
SMILESCCc1nnn(CC(=O)OC)n1
InChIInChI=1S/C6H10N4O2/c1-3-5-7-9-10(8-5)4-6(11)12-2/h3-4H2,1-2H3
InChIKeyIDPAXWOEVSGGNF-UHFFFAOYSA-N
XLogP-0.59
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 ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyltetrazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-ethyltetrazol-2-yl)acetate (CID 59069151) is methyl 2-(5-ethyltetrazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-ethyltetrazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-ethyltetrazol-2-yl)acetate is CCc1nnn(CC(=O)OC)n1.
What is the InChIKey of methyl 2-(5-ethyltetrazol-2-yl)acetate?
The InChIKey is IDPAXWOEVSGGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-5-7-9-10(8-5)4-6(11)12-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-(5-ethyltetrazol-2-yl)acetate?
methyl 2-(5-ethyltetrazol-2-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyltetrazol-2-yl)acetate is sourced from PubChem (CID 59069151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).