ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate

C12H15N5O4 — CID 142039073

IUPACethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C12H15N5O4/c1-3-20-10(18)7-17-5-4-13-11(12(17)19)14-6-9-8(2)15-21-16-9/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyKDJWFICWNCJXLF-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.11
Rot. Bonds6

About ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate

ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate (PubChem CID 142039073) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate
PubChem CID142039073
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Nameethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate
SMILESCCOC(=O)Cn1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C12H15N5O4/c1-3-20-10(18)7-17-5-4-13-11(12(17)19)14-6-9-8(2)15-21-16-9/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyKDJWFICWNCJXLF-UHFFFAOYSA-N
XLogP0.11
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate (CID 142039073) is ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate is CCOC(=O)Cn1ccnc(NCc2nonc2C)c1=O.
What is the InChIKey of ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
The InChIKey is KDJWFICWNCJXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-3-20-10(18)7-17-5-4-13-11(12(17)19)14-6-9-8(2)15-21-16-9/h4-5H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate has a molecular weight of 293.28 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 142039073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).