3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C15H11F6N5O — CID 155338038

IUPAC3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(Oc1ncc(-c2cn3c(C(F)F)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C15H11F6N5O/c1-14(2,15(19,20)21)27-13-8(16)3-7(4-23-13)9-6-26-10(5-22-9)24-25-12(26)11(17)18/h3-6,11H,1-2H3
InChIKeyNAKFYELYZPBFRF-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.98
Rot. Bonds4

About 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 155338038) has the molecular formula C15H11F6N5O and a molecular weight of 391.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID155338038
Molecular FormulaC15H11F6N5O
Molecular Weight391.28 g/mol
Exact Mass391.09
IUPAC Name3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(Oc1ncc(-c2cn3c(C(F)F)nnc3cn2)cc1F)C(F)(F)F
InChIInChI=1S/C15H11F6N5O/c1-14(2,15(19,20)21)27-13-8(16)3-7(4-23-13)9-6-26-10(5-22-9)24-25-12(26)11(17)18/h3-6,11H,1-2H3
InChIKeyNAKFYELYZPBFRF-UHFFFAOYSA-N
XLogP3.98
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 155338038) is 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(Oc1ncc(-c2cn3c(C(F)F)nnc3cn2)cc1F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NAKFYELYZPBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O/c1-14(2,15(19,20)21)27-13-8(16)3-7(4-23-13)9-6-26-10(5-22-9)24-25-12(26)11(17)18/h3-6,11H,1-2H3.
What are the key properties of 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 391.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 155338038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).