ethyl 5-aminopyrazine-2-carboxylate

C7H9N3O2 — CID 22271413

IUPACethyl 5-aminopyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyBLPDHDYKCBRILY-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About ethyl 5-aminopyrazine-2-carboxylate

ethyl 5-aminopyrazine-2-carboxylate (PubChem CID 22271413) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is ethyl 5-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-aminopyrazine-2-carboxylate
PubChem CID22271413
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Nameethyl 5-aminopyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyBLPDHDYKCBRILY-UHFFFAOYSA-N
XLogP0.24
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-aminopyrazinecarboxylate
CID 72669
3-Amino-2-pyrazinecarboxylic acid
CID 72656
Methyl pyrazinoate
CID 72662
Ethyl pyrazinecarboxylate
CID 81341
2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
CID 465065
Propyl pyrazinoate
CID 72507
Pyrazinecarboxylic acid, 2-(dimethylamino)ethyl ester
CID 122708
Methyl 3-Amino-6-bromopyrazine-2-carboxylate
CID 227251
Methyl 3-amino-6-chloropyrazine-2-carboxylate
CID 824637
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
2-Methylpropyl pyrazine-2-carboxylate
CID 465056

Frequently Asked Questions

What is the IUPAC name of ethyl 5-aminopyrazine-2-carboxylate?
The IUPAC name of ethyl 5-aminopyrazine-2-carboxylate (CID 22271413) is ethyl 5-aminopyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-aminopyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-aminopyrazine-2-carboxylate is CCOC(=O)c1cnc(N)cn1.
What is the InChIKey of ethyl 5-aminopyrazine-2-carboxylate?
The InChIKey is BLPDHDYKCBRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3,(H2,8,10).
What are the key properties of ethyl 5-aminopyrazine-2-carboxylate?
ethyl 5-aminopyrazine-2-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-aminopyrazine-2-carboxylate is sourced from PubChem (CID 22271413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).