methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate

C11H13N5O3 — CID 114186375

IUPACmethyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NCCc2nc(C)no2)cn1
InChIInChI=1S/C11H13N5O3/c1-7-15-10(19-16-7)3-4-12-9-6-13-8(5-14-9)11(17)18-2/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyZHCLEOGLOWVFFS-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.61
Rot. Bonds5

About methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate

methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate (PubChem CID 114186375) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
PubChem CID114186375
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Namemethyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NCCc2nc(C)no2)cn1
InChIInChI=1S/C11H13N5O3/c1-7-15-10(19-16-7)3-4-12-9-6-13-8(5-14-9)11(17)18-2/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyZHCLEOGLOWVFFS-UHFFFAOYSA-N
XLogP0.61
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
methyl 5-(butylamino)pyrazine-2-carboxylate
CID 68565370
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 106418721
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 106424446
6-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186380
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685485
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485
methyl 5-[2-[ethyl(propyl)amino]ethylamino]pyrazine-2-carboxylate
CID 114132782
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 114185667
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate (CID 114186375) is methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cnc(NCCc2nc(C)no2)cn1.
What is the InChIKey of methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is ZHCLEOGLOWVFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-15-10(19-16-7)3-4-12-9-6-13-8(5-14-9)11(17)18-2/h5-6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate?
methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 263.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 114186375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).