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

C5H8N4O2 — CID 14357934

IUPACmethyl 2-(2-methyltetrazol-5-yl)acetate
SMILESCOC(=O)Cc1nnn(C)n1
InChIInChI=1S/C5H8N4O2/c1-9-7-4(6-8-9)3-5(10)11-2/h3H2,1-2H3
InChIKeySUGAVDMAJJYAQD-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.07
Rot. Bonds2

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

methyl 2-(2-methyltetrazol-5-yl)acetate (PubChem CID 14357934) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is methyl 2-(2-methyltetrazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyltetrazol-5-yl)acetate
PubChem CID14357934
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Namemethyl 2-(2-methyltetrazol-5-yl)acetate
SMILESCOC(=O)Cc1nnn(C)n1
InChIInChI=1S/C5H8N4O2/c1-9-7-4(6-8-9)3-5(10)11-2/h3H2,1-2H3
InChIKeySUGAVDMAJJYAQD-UHFFFAOYSA-N
XLogP-1.07
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyltetrazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-methyltetrazol-5-yl)acetate (CID 14357934) is methyl 2-(2-methyltetrazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyltetrazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-methyltetrazol-5-yl)acetate is COC(=O)Cc1nnn(C)n1.
What is the InChIKey of methyl 2-(2-methyltetrazol-5-yl)acetate?
The InChIKey is SUGAVDMAJJYAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9-7-4(6-8-9)3-5(10)11-2/h3H2,1-2H3.
What are the key properties of methyl 2-(2-methyltetrazol-5-yl)acetate?
methyl 2-(2-methyltetrazol-5-yl)acetate has a molecular weight of 156.15 g/mol, XLogP of -1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyltetrazol-5-yl)acetate is sourced from PubChem (CID 14357934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).