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

C10H15N3O3 — CID 62939727

IUPACethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nccn(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-16-8(14)4-5-11-9-10(15)13(2)7-6-12-9/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyBPKCZMGTMOQPNF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.15
Rot. Bonds5

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

ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (PubChem CID 62939727) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
PubChem CID62939727
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nccn(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-16-8(14)4-5-11-9-10(15)13(2)7-6-12-9/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyBPKCZMGTMOQPNF-UHFFFAOYSA-N
XLogP0.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
3-(3-methoxypropylamino)-1-methylpyrazin-2-one
CID 62939042
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 115658440
3-[2-[ethyl(methyl)amino]ethylamino]-1-methylpyrazin-2-one
CID 62938529
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one
CID 103703097
ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate
CID 80816137
ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (CID 62939727) is ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is CCOC(=O)CCNc1nccn(C)c1=O.
What is the InChIKey of ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The InChIKey is BPKCZMGTMOQPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-8(14)4-5-11-9-10(15)13(2)7-6-12-9/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62939727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).