ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride

C8H12ClN3O2 — CID 68860044

IUPACethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride
SMILESCCOC(=O)C(N)c1cnccn1.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-2-13-8(12)7(9)6-5-10-3-4-11-6;/h3-5,7H,2,9H2,1H3;1H
InChIKeyQJUPCPNROQKSCL-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.46
Rot. Bonds3

About ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride

ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride (PubChem CID 68860044) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride
PubChem CID68860044
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Nameethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride
SMILESCCOC(=O)C(N)c1cnccn1.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-2-13-8(12)7(9)6-5-10-3-4-11-6;/h3-5,7H,2,9H2,1H3;1H
InChIKeyQJUPCPNROQKSCL-UHFFFAOYSA-N
XLogP0.46
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride (CID 68860044) is ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride is CCOC(=O)C(N)c1cnccn1.Cl.
What is the InChIKey of ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride?
The InChIKey is QJUPCPNROQKSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-2-13-8(12)7(9)6-5-10-3-4-11-6;/h3-5,7H,2,9H2,1H3;1H.
What are the key properties of ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride?
ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride is sourced from PubChem (CID 68860044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).