methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate

C10H16N4O2 — CID 114900602

IUPACmethyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
SMILESCCN(CCN)c1cncc(C(=O)OC)n1
InChIInChI=1S/C10H16N4O2/c1-3-14(5-4-11)9-7-12-6-8(13-9)10(15)16-2/h6-7H,3-5,11H2,1-2H3
InChIKeyUAIIMRCHSSGMRT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds5

About methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate

methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate (PubChem CID 114900602) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
PubChem CID114900602
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
SMILESCCN(CCN)c1cncc(C(=O)OC)n1
InChIInChI=1S/C10H16N4O2/c1-3-14(5-4-11)9-7-12-6-8(13-9)10(15)16-2/h6-7H,3-5,11H2,1-2H3
InChIKeyUAIIMRCHSSGMRT-UHFFFAOYSA-N
XLogP0.05
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate (CID 114900602) is methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate is CCN(CCN)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate?
The InChIKey is UAIIMRCHSSGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-14(5-4-11)9-7-12-6-8(13-9)10(15)16-2/h6-7H,3-5,11H2,1-2H3.
What are the key properties of methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate?
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 114900602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).