methyl 2-(5-phenyltetrazol-1-yl)acetate

C10H10N4O2 — CID 15007244

IUPACmethyl 2-(5-phenyltetrazol-1-yl)acetate
SMILESCOC(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C10H10N4O2/c1-16-9(15)7-14-10(11-12-13-14)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyWAWBWRMDMYIJQD-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.51
Rot. Bonds3

About methyl 2-(5-phenyltetrazol-1-yl)acetate

methyl 2-(5-phenyltetrazol-1-yl)acetate (PubChem CID 15007244) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is methyl 2-(5-phenyltetrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-phenyltetrazol-1-yl)acetate
PubChem CID15007244
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namemethyl 2-(5-phenyltetrazol-1-yl)acetate
SMILESCOC(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C10H10N4O2/c1-16-9(15)7-14-10(11-12-13-14)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyWAWBWRMDMYIJQD-UHFFFAOYSA-N
XLogP0.51
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-phenyltetrazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-phenyltetrazol-1-yl)acetate (CID 15007244) is methyl 2-(5-phenyltetrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-phenyltetrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-phenyltetrazol-1-yl)acetate is COC(=O)Cn1nnnc1-c1ccccc1.
What is the InChIKey of methyl 2-(5-phenyltetrazol-1-yl)acetate?
The InChIKey is WAWBWRMDMYIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-9(15)7-14-10(11-12-13-14)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(5-phenyltetrazol-1-yl)acetate?
methyl 2-(5-phenyltetrazol-1-yl)acetate has a molecular weight of 218.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-phenyltetrazol-1-yl)acetate is sourced from PubChem (CID 15007244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).