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

C8H8N4O2 — CID 13300861

IUPACmethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nccnc1C#N
InChIInChI=1S/C8H8N4O2/c1-14-7(13)5-12-8-6(4-9)10-2-3-11-8/h2-3H,5H2,1H3,(H,11,12)
InChIKeyLLVXJWOOHCJELJ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.07
Rot. Bonds3

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

methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate (PubChem CID 13300861) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
PubChem CID13300861
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nccnc1C#N
InChIInChI=1S/C8H8N4O2/c1-14-7(13)5-12-8-6(4-9)10-2-3-11-8/h2-3H,5H2,1H3,(H,11,12)
InChIKeyLLVXJWOOHCJELJ-UHFFFAOYSA-N
XLogP-0.07
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate (CID 13300861) is methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate is COC(=O)CNc1nccnc1C#N.
What is the InChIKey of methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
The InChIKey is LLVXJWOOHCJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-7(13)5-12-8-6(4-9)10-2-3-11-8/h2-3H,5H2,1H3,(H,11,12).
What are the key properties of methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate?
methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate has a molecular weight of 192.18 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyanopyrazin-2-yl)amino]acetate is sourced from PubChem (CID 13300861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).