[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone

C17H12F4N6O — CID 86271307

IUPAC[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(nnn2-c2cnccn2)C1
InChIInChI=1S/C17H12F4N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-3,5-6,8H,4,7,9H2
InChIKeySZOWCWXAPMWRNX-UHFFFAOYSA-N
MW392.32 g/mol
LogP2.41
Rot. Bonds2

About [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone

[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 86271307) has the molecular formula C17H12F4N6O and a molecular weight of 392.32 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID86271307
Molecular FormulaC17H12F4N6O
Molecular Weight392.32 g/mol
Exact Mass392.10
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(nnn2-c2cnccn2)C1
InChIInChI=1S/C17H12F4N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-3,5-6,8H,4,7,9H2
InChIKeySZOWCWXAPMWRNX-UHFFFAOYSA-N
XLogP2.41
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 90452380
[2-fluoro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 86270816
[2-fluoro-3-(trifluoromethyl)phenyl]-[5-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)pyrazin-2-yl]methanone
CID 172800960
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
[2-fluoro-3-(trifluoromethyl)phenyl]-[1-[(1E,3Z)-1-(methylideneamino)penta-1,3-dienyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 144720476
[2-fluoro-3-(trifluoromethyl)phenyl]-[(4S)-4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90459860
[2-fluoro-3-(trifluoromethyl)phenyl]-[2-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)pyrimidin-5-yl]methanone
CID 172685610
[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 129152857
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(2-methylhexan-3-yl)-3-pyrazin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-5-yl]methanone
CID 123399147
(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86270818
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 79885733

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (CID 86271307) is [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(nnn2-c2cnccn2)C1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is SZOWCWXAPMWRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N6O/c18-15-10(2-1-3-11(15)17(19,20)21)16(28)26-7-4-13-12(9-26)24-25-27(13)14-8-22-5-6-23-14/h1-3,5-6,8H,4,7,9H2.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 392.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 86271307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).