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

C12H17N5O4 — CID 142038980

IUPACethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCC.Cc1nonc1CNc1nccn(CC(=O)O)c1=O
InChIInChI=1S/C10H11N5O4.C2H6/c1-6-7(14-19-13-6)4-12-9-10(18)15(3-2-11-9)5-8(16)17;1-2/h2-3H,4-5H2,1H3,(H,11,12)(H,16,17);1-2H3
InChIKeyDOEVCISODICAHT-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.66
Rot. Bonds5

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

ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 142038980) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Nameethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID142038980
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Nameethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCC.Cc1nonc1CNc1nccn(CC(=O)O)c1=O
InChIInChI=1S/C10H11N5O4.C2H6/c1-6-7(14-19-13-6)4-12-9-10(18)15(3-2-11-9)5-8(16)17;1-2/h2-3H,4-5H2,1H3,(H,11,12)(H,16,17);1-2H3
InChIKeyDOEVCISODICAHT-UHFFFAOYSA-N
XLogP0.66
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 142038980) is ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid is CC.Cc1nonc1CNc1nccn(CC(=O)O)c1=O.
What is the InChIKey of ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is DOEVCISODICAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4.C2H6/c1-6-7(14-19-13-6)4-12-9-10(18)15(3-2-11-9)5-8(16)17;1-2/h2-3H,4-5H2,1H3,(H,11,12)(H,16,17);1-2H3.
What are the key properties of ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 142038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).