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

C14H21N5O4 — CID 142039072

IUPACethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate
SMILESCC.CCOC(=O)Cn1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C12H15N5O4.C2H6/c1-3-20-10(18)7-17-5-4-13-11(12(17)19)14-6-9-8(2)15-21-16-9;1-2/h4-5H,3,6-7H2,1-2H3,(H,13,14);1-2H3
InChIKeyWUKFIFGSXAQUNG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.14
Rot. Bonds6

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

ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate (PubChem CID 142039072) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Nameethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate
PubChem CID142039072
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Nameethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate
SMILESCC.CCOC(=O)Cn1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C12H15N5O4.C2H6/c1-3-20-10(18)7-17-5-4-13-11(12(17)19)14-6-9-8(2)15-21-16-9;1-2/h4-5H,3,6-7H2,1-2H3,(H,13,14);1-2H3
InChIKeyWUKFIFGSXAQUNG-UHFFFAOYSA-N
XLogP1.14
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
The IUPAC name of ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate (CID 142039072) is ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate.
What is the SMILES notation for ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
The canonical SMILES for ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate is CC.CCOC(=O)Cn1ccnc(NCc2nonc2C)c1=O.
What is the InChIKey of ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
The InChIKey is WUKFIFGSXAQUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4.C2H6/c1-3-20-10(18)7-17-5-4-13-11(12(17)19)14-6-9-8(2)15-21-16-9;1-2/h4-5H,3,6-7H2,1-2H3,(H,13,14);1-2H3.
What are the key properties of ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate?
ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate has a molecular weight of 323.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 142039072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).