methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate

C8H8N6O2 — CID 86163737

IUPACmethyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate
SMILESCOC(=O)Cn1nnnc1-c1cnccn1
InChIInChI=1S/C8H8N6O2/c1-16-7(15)5-14-8(11-12-13-14)6-4-9-2-3-10-6/h2-4H,5H2,1H3
InChIKeyYBOYEXGONXVYCV-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.70
Rot. Bonds3

About methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate

methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate (PubChem CID 86163737) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate
PubChem CID86163737
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Namemethyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate
SMILESCOC(=O)Cn1nnnc1-c1cnccn1
InChIInChI=1S/C8H8N6O2/c1-16-7(15)5-14-8(11-12-13-14)6-4-9-2-3-10-6/h2-4H,5H2,1H3
InChIKeyYBOYEXGONXVYCV-UHFFFAOYSA-N
XLogP-0.70
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate (CID 86163737) is methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate is COC(=O)Cn1nnnc1-c1cnccn1.
What is the InChIKey of methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate?
The InChIKey is YBOYEXGONXVYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c1-16-7(15)5-14-8(11-12-13-14)6-4-9-2-3-10-6/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate?
methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate has a molecular weight of 220.19 g/mol, XLogP of -0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate is sourced from PubChem (CID 86163737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).