methyl 2-[formyl(pyrazin-2-yl)amino]acetate

C8H9N3O3 — CID 91619718

IUPACmethyl 2-[formyl(pyrazin-2-yl)amino]acetate
SMILESCOC(=O)CN(C=O)c1cnccn1
InChIInChI=1S/C8H9N3O3/c1-14-8(13)5-11(6-12)7-4-9-2-3-10-7/h2-4,6H,5H2,1H3
InChIKeyYHVQJPHZQXDMQE-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.39
Rot. Bonds4

About methyl 2-[formyl(pyrazin-2-yl)amino]acetate

methyl 2-[formyl(pyrazin-2-yl)amino]acetate (PubChem CID 91619718) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is methyl 2-[formyl(pyrazin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[formyl(pyrazin-2-yl)amino]acetate
PubChem CID91619718
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namemethyl 2-[formyl(pyrazin-2-yl)amino]acetate
SMILESCOC(=O)CN(C=O)c1cnccn1
InChIInChI=1S/C8H9N3O3/c1-14-8(13)5-11(6-12)7-4-9-2-3-10-7/h2-4,6H,5H2,1H3
InChIKeyYHVQJPHZQXDMQE-UHFFFAOYSA-N
XLogP-0.39
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[formyl(pyrazin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[formyl(pyrazin-2-yl)amino]acetate (CID 91619718) is methyl 2-[formyl(pyrazin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[formyl(pyrazin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[formyl(pyrazin-2-yl)amino]acetate is COC(=O)CN(C=O)c1cnccn1.
What is the InChIKey of methyl 2-[formyl(pyrazin-2-yl)amino]acetate?
The InChIKey is YHVQJPHZQXDMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-8(13)5-11(6-12)7-4-9-2-3-10-7/h2-4,6H,5H2,1H3.
What are the key properties of methyl 2-[formyl(pyrazin-2-yl)amino]acetate?
methyl 2-[formyl(pyrazin-2-yl)amino]acetate has a molecular weight of 195.18 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[formyl(pyrazin-2-yl)amino]acetate is sourced from PubChem (CID 91619718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).