methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate

C8H10N4O3 — CID 10443083

IUPACmethyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C(C)=O)c(N)nc1N
InChIInChI=1S/C8H10N4O3/c1-3(13)4-6(9)12-7(10)5(11-4)8(14)15-2/h1-2H3,(H4,9,10,12)
InChIKeyLQBKMRVUISZMDN-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.37
Rot. Bonds2

About methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate

methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate (PubChem CID 10443083) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate
PubChem CID10443083
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Namemethyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C(C)=O)c(N)nc1N
InChIInChI=1S/C8H10N4O3/c1-3(13)4-6(9)12-7(10)5(11-4)8(14)15-2/h1-2H3,(H4,9,10,12)
InChIKeyLQBKMRVUISZMDN-UHFFFAOYSA-N
XLogP-0.37
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate?
The IUPAC name of methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate (CID 10443083) is methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate?
The canonical SMILES for methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate is COC(=O)c1nc(C(C)=O)c(N)nc1N.
What is the InChIKey of methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate?
The InChIKey is LQBKMRVUISZMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-3(13)4-6(9)12-7(10)5(11-4)8(14)15-2/h1-2H3,(H4,9,10,12).
What are the key properties of methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate?
methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate has a molecular weight of 210.19 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate is sourced from PubChem (CID 10443083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).