ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate

C12H17N3O3 — CID 55155249

IUPACethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate
SMILESCCOC(=O)CN(c1nccn(C)c1=O)C1CC1
InChIInChI=1S/C12H17N3O3/c1-3-18-10(16)8-15(9-4-5-9)11-12(17)14(2)7-6-13-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyOBCJZUZZEHUSCM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.31
Rot. Bonds5

About ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate

ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate (PubChem CID 55155249) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate
PubChem CID55155249
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate
SMILESCCOC(=O)CN(c1nccn(C)c1=O)C1CC1
InChIInChI=1S/C12H17N3O3/c1-3-18-10(16)8-15(9-4-5-9)11-12(17)14(2)7-6-13-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyOBCJZUZZEHUSCM-UHFFFAOYSA-N
XLogP0.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate (CID 55155249) is ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate is CCOC(=O)CN(c1nccn(C)c1=O)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate?
The InChIKey is OBCJZUZZEHUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-10(16)8-15(9-4-5-9)11-12(17)14(2)7-6-13-11/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate?
ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(4-methyl-3-oxopyrazin-2-yl)amino]acetate is sourced from PubChem (CID 55155249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).