methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate

C10H12F3N3O2 — CID 66451736

IUPACmethyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-16(4-3-10(11,12)13)8-6-14-5-7(15-8)9(17)18-2/h5-6H,3-4H2,1-2H3
InChIKeyRRMMJSFSMJZRAS-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.65
Rot. Bonds4

About methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate

methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate (PubChem CID 66451736) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate
PubChem CID66451736
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Namemethyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-16(4-3-10(11,12)13)8-6-14-5-7(15-8)9(17)18-2/h5-6H,3-4H2,1-2H3
InChIKeyRRMMJSFSMJZRAS-UHFFFAOYSA-N
XLogP1.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate (CID 66451736) is methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)CCC(F)(F)F)n1.
What is the InChIKey of methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate?
The InChIKey is RRMMJSFSMJZRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-16(4-3-10(11,12)13)8-6-14-5-7(15-8)9(17)18-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate?
methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate has a molecular weight of 263.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[methyl(3,3,3-trifluoropropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66451736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).