methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate

C12H14N4O3 — CID 66458098

IUPACmethyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H14N4O3/c1-7-11(8(2)16(3)15-7)19-10-6-13-5-9(14-10)12(17)18-4/h5-6H,1-4H3
InChIKeyNMGIMUUNMSSLEE-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.41
Rot. Bonds3

About methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate

methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate (PubChem CID 66458098) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate
PubChem CID66458098
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namemethyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H14N4O3/c1-7-11(8(2)16(3)15-7)19-10-6-13-5-9(14-10)12(17)18-4/h5-6H,1-4H3
InChIKeyNMGIMUUNMSSLEE-UHFFFAOYSA-N
XLogP1.41
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
CID 66455880
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
methyl 6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyrazine-2-carboxylate
CID 66456070
methyl 6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66458638
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
methyl 6-bromopyrazine-2-carboxylate
CID 52988070

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate?
The IUPAC name of methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate (CID 66458098) is methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate is COC(=O)c1cncc(Oc2c(C)nn(C)c2C)n1.
What is the InChIKey of methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate?
The InChIKey is NMGIMUUNMSSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-11(8(2)16(3)15-7)19-10-6-13-5-9(14-10)12(17)18-4/h5-6H,1-4H3.
What are the key properties of methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate?
methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1,3,5-trimethylpyrazol-4-yl)oxypyrazine-2-carboxylate is sourced from PubChem (CID 66458098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).