(5-amino-6-cyanopyrazin-2-yl)methyl acetate

C8H8N4O2 — CID 3274947

IUPAC(5-amino-6-cyanopyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cnc(N)c(C#N)n1
InChIInChI=1S/C8H8N4O2/c1-5(13)14-4-6-3-11-8(10)7(2-9)12-6/h3H,4H2,1H3,(H2,10,11)
InChIKeyIMLOZVNPFFXWAQ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.01
Rot. Bonds2

About (5-amino-6-cyanopyrazin-2-yl)methyl acetate

(5-amino-6-cyanopyrazin-2-yl)methyl acetate (PubChem CID 3274947) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (5-amino-6-cyanopyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-amino-6-cyanopyrazin-2-yl)methyl acetate
PubChem CID3274947
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name(5-amino-6-cyanopyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cnc(N)c(C#N)n1
InChIInChI=1S/C8H8N4O2/c1-5(13)14-4-6-3-11-8(10)7(2-9)12-6/h3H,4H2,1H3,(H2,10,11)
InChIKeyIMLOZVNPFFXWAQ-UHFFFAOYSA-N
XLogP-0.01
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-amino-6-cyanopyrazin-2-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-6-cyanopyrazin-2-yl)methyl acetate?
The IUPAC name of (5-amino-6-cyanopyrazin-2-yl)methyl acetate (CID 3274947) is (5-amino-6-cyanopyrazin-2-yl)methyl acetate.
What is the SMILES notation for (5-amino-6-cyanopyrazin-2-yl)methyl acetate?
The canonical SMILES for (5-amino-6-cyanopyrazin-2-yl)methyl acetate is CC(=O)OCc1cnc(N)c(C#N)n1.
What is the InChIKey of (5-amino-6-cyanopyrazin-2-yl)methyl acetate?
The InChIKey is IMLOZVNPFFXWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(13)14-4-6-3-11-8(10)7(2-9)12-6/h3H,4H2,1H3,(H2,10,11).
What are the key properties of (5-amino-6-cyanopyrazin-2-yl)methyl acetate?
(5-amino-6-cyanopyrazin-2-yl)methyl acetate has a molecular weight of 192.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-cyanopyrazin-2-yl)methyl acetate is sourced from PubChem (CID 3274947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).