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

C5H8N4O2 — CID 59069116

IUPACmethyl 2-(5-methyltetrazol-2-yl)acetate
SMILESCOC(=O)Cn1nnc(C)n1
InChIInChI=1S/C5H8N4O2/c1-4-6-8-9(7-4)3-5(10)11-2/h3H2,1-2H3
InChIKeyBVVNOLBSMJZWRO-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.85
Rot. Bonds2

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

methyl 2-(5-methyltetrazol-2-yl)acetate (PubChem CID 59069116) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is methyl 2-(5-methyltetrazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyltetrazol-2-yl)acetate
PubChem CID59069116
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Namemethyl 2-(5-methyltetrazol-2-yl)acetate
SMILESCOC(=O)Cn1nnc(C)n1
InChIInChI=1S/C5H8N4O2/c1-4-6-8-9(7-4)3-5(10)11-2/h3H2,1-2H3
InChIKeyBVVNOLBSMJZWRO-UHFFFAOYSA-N
XLogP-0.85
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 ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyltetrazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-methyltetrazol-2-yl)acetate (CID 59069116) is methyl 2-(5-methyltetrazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyltetrazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methyltetrazol-2-yl)acetate is COC(=O)Cn1nnc(C)n1.
What is the InChIKey of methyl 2-(5-methyltetrazol-2-yl)acetate?
The InChIKey is BVVNOLBSMJZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-4-6-8-9(7-4)3-5(10)11-2/h3H2,1-2H3.
What are the key properties of methyl 2-(5-methyltetrazol-2-yl)acetate?
methyl 2-(5-methyltetrazol-2-yl)acetate has a molecular weight of 156.15 g/mol, XLogP of -0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyltetrazol-2-yl)acetate is sourced from PubChem (CID 59069116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).