ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate

C9H10N4O2 — CID 62672173

IUPACethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nccnc1C#N
InChIInChI=1S/C9H10N4O2/c1-2-15-8(14)6-13-9-7(5-10)11-3-4-12-9/h3-4H,2,6H2,1H3,(H,12,13)
InChIKeyKGCROFUREOVWGA-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.32
Rot. Bonds4

About ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate

ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate (PubChem CID 62672173) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
PubChem CID62672173
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Nameethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nccnc1C#N
InChIInChI=1S/C9H10N4O2/c1-2-15-8(14)6-13-9-7(5-10)11-3-4-12-9/h3-4H,2,6H2,1H3,(H,12,13)
InChIKeyKGCROFUREOVWGA-UHFFFAOYSA-N
XLogP0.32
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acetic acid;6-piperazin-1-ylpyrazine-2-carbonitrile
CID 90674674
5-Acetoxymethyl-2-amino-3-cyanopyrazine
CID 3274947
3-{[3-(Morpholin-4-yl)propyl]amino}pyrazine-2-carbonitrile
CID 62671633
Pteridine, 2-ethoxycarbonyl-1,2,3,4-tetrahydro-
CID 171384808
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 62866007
5-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 64288889
2-[(3-Cyanopyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798026
3-[2-(2,2-Difluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 103081466
5-[2-(2,2-Difluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 103081578
Methyl [(3-cyanopyrazinyl)amino]acetate
CID 13300861
2-[(6-Amino-3,5-dicyanopyrazin-2-yl)amino]ethyl acetate
CID 20397013
2-[(5,6-Dicyanopyrazin-2-yl)amino]acetic acid
CID 20452506

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate (CID 62672173) is ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate is CCOC(=O)CNc1nccnc1C#N.
What is the InChIKey of ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
The InChIKey is KGCROFUREOVWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-8(14)6-13-9-7(5-10)11-3-4-12-9/h3-4H,2,6H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate has a molecular weight of 206.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate is sourced from PubChem (CID 62672173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).