ethyl 5-propan-2-ylpyrazine-2-carboxylate

C10H14N2O2 — CID 59617996

IUPACethyl 5-propan-2-ylpyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)cn1
InChIInChI=1S/C10H14N2O2/c1-4-14-10(13)9-6-11-8(5-12-9)7(2)3/h5-7H,4H2,1-3H3
InChIKeyBSPUAGFSODVIEM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.78
Rot. Bonds3

About ethyl 5-propan-2-ylpyrazine-2-carboxylate

ethyl 5-propan-2-ylpyrazine-2-carboxylate (PubChem CID 59617996) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 5-propan-2-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-ylpyrazine-2-carboxylate
PubChem CID59617996
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 5-propan-2-ylpyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)cn1
InChIInChI=1S/C10H14N2O2/c1-4-14-10(13)9-6-11-8(5-12-9)7(2)3/h5-7H,4H2,1-3H3
InChIKeyBSPUAGFSODVIEM-UHFFFAOYSA-N
XLogP1.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-ylpyrazine-2-carboxylate?
The IUPAC name of ethyl 5-propan-2-ylpyrazine-2-carboxylate (CID 59617996) is ethyl 5-propan-2-ylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-ylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-propan-2-ylpyrazine-2-carboxylate is CCOC(=O)c1cnc(C(C)C)cn1.
What is the InChIKey of ethyl 5-propan-2-ylpyrazine-2-carboxylate?
The InChIKey is BSPUAGFSODVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-14-10(13)9-6-11-8(5-12-9)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-propan-2-ylpyrazine-2-carboxylate?
ethyl 5-propan-2-ylpyrazine-2-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-ylpyrazine-2-carboxylate is sourced from PubChem (CID 59617996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).