methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate

C7H8ClN3O3 — CID 170905017

IUPACmethyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate
SMILESCNc1[nH]c(=O)c(C(=O)OC)nc1Cl
InChIInChI=1S/C7H8ClN3O3/c1-9-5-4(8)10-3(6(12)11-5)7(13)14-2/h1-2H3,(H2,9,11,12)
InChIKeyOUBGNOMHXWNWQO-UHFFFAOYSA-N
MW217.61 g/mol
LogP0.25
Rot. Bonds2

About methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate

methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate (PubChem CID 170905017) has the molecular formula C7H8ClN3O3 and a molecular weight of 217.61 g/mol. Its IUPAC name is methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate
PubChem CID170905017
Molecular FormulaC7H8ClN3O3
Molecular Weight217.61 g/mol
Exact Mass217.03
IUPAC Namemethyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate
SMILESCNc1[nH]c(=O)c(C(=O)OC)nc1Cl
InChIInChI=1S/C7H8ClN3O3/c1-9-5-4(8)10-3(6(12)11-5)7(13)14-2/h1-2H3,(H2,9,11,12)
InChIKeyOUBGNOMHXWNWQO-UHFFFAOYSA-N
XLogP0.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate?
The IUPAC name of methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate (CID 170905017) is methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate is CNc1[nH]c(=O)c(C(=O)OC)nc1Cl.
What is the InChIKey of methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate?
The InChIKey is OUBGNOMHXWNWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3/c1-9-5-4(8)10-3(6(12)11-5)7(13)14-2/h1-2H3,(H2,9,11,12).
What are the key properties of methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate?
methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate has a molecular weight of 217.61 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-(methylamino)-2-oxo-1H-pyrazine-3-carboxylate is sourced from PubChem (CID 170905017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).