ethyl 2-(pyrazin-2-ylamino)acetate

C8H11N3O2 — CID 15394823

IUPACethyl 2-(pyrazin-2-ylamino)acetate
SMILESCCOC(=O)CNc1cnccn1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)6-11-7-5-9-3-4-10-7/h3-5H,2,6H2,1H3,(H,10,11)
InChIKeyZNVZPCFHWHRPRC-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.45
Rot. Bonds4

About ethyl 2-(pyrazin-2-ylamino)acetate

ethyl 2-(pyrazin-2-ylamino)acetate (PubChem CID 15394823) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is ethyl 2-(pyrazin-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(pyrazin-2-ylamino)acetate
PubChem CID15394823
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-(pyrazin-2-ylamino)acetate
SMILESCCOC(=O)CNc1cnccn1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)6-11-7-5-9-3-4-10-7/h3-5H,2,6H2,1H3,(H,10,11)
InChIKeyZNVZPCFHWHRPRC-UHFFFAOYSA-N
XLogP0.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrazin-2-ylamino)acetate?
The IUPAC name of ethyl 2-(pyrazin-2-ylamino)acetate (CID 15394823) is ethyl 2-(pyrazin-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(pyrazin-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(pyrazin-2-ylamino)acetate is CCOC(=O)CNc1cnccn1.
What is the InChIKey of ethyl 2-(pyrazin-2-ylamino)acetate?
The InChIKey is ZNVZPCFHWHRPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-13-8(12)6-11-7-5-9-3-4-10-7/h3-5H,2,6H2,1H3,(H,10,11).
What are the key properties of ethyl 2-(pyrazin-2-ylamino)acetate?
ethyl 2-(pyrazin-2-ylamino)acetate has a molecular weight of 181.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrazin-2-ylamino)acetate is sourced from PubChem (CID 15394823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).