3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C15H12F5N5O2 — CID 149226272

IUPAC3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12
InChIInChI=1S/C15H12F5N5O2/c1-8(14(16,17)18)27-12-4-3-9(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(19,20)26-2/h3-8H,1-2H3/t8-/m0/s1
InChIKeyXJKPNPGURMBKPZ-QMMMGPOBSA-N
MW389.28 g/mol
LogP3.21
Rot. Bonds5

About 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 149226272) has the molecular formula C15H12F5N5O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID149226272
Molecular FormulaC15H12F5N5O2
Molecular Weight389.28 g/mol
Exact Mass389.09
IUPAC Name3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12
InChIInChI=1S/C15H12F5N5O2/c1-8(14(16,17)18)27-12-4-3-9(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(19,20)26-2/h3-8H,1-2H3/t8-/m0/s1
InChIKeyXJKPNPGURMBKPZ-QMMMGPOBSA-N
XLogP3.21
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 149226272) is 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12.
What is the InChIKey of 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XJKPNPGURMBKPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12F5N5O2/c1-8(14(16,17)18)27-12-4-3-9(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(19,20)26-2/h3-8H,1-2H3/t8-/m0/s1.
What are the key properties of 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 389.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 149226272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).