(5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C14H12F4N4O2 — CID 56794272

IUPAC(5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C14H12F4N4O2/c1-24-10-3-2-8(15)6-9(10)12(23)21-4-5-22-11(7-21)19-20-13(22)14(16,17)18/h2-3,6H,4-5,7H2,1H3
InChIKeyKTJYSDYFHUAJLQ-UHFFFAOYSA-N
MW344.27 g/mol
LogP2.10
Rot. Bonds2

About (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 56794272) has the molecular formula C14H12F4N4O2 and a molecular weight of 344.27 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID56794272
Molecular FormulaC14H12F4N4O2
Molecular Weight344.27 g/mol
Exact Mass344.09
IUPAC Name(5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C14H12F4N4O2/c1-24-10-3-2-8(15)6-9(10)12(23)21-4-5-22-11(7-21)19-20-13(22)14(16,17)18/h2-3,6H,4-5,7H2,1H3
InChIKeyKTJYSDYFHUAJLQ-UHFFFAOYSA-N
XLogP2.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 56794272) is (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1ccc(F)cc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is KTJYSDYFHUAJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O2/c1-24-10-3-2-8(15)6-9(10)12(23)21-4-5-22-11(7-21)19-20-13(22)14(16,17)18/h2-3,6H,4-5,7H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 344.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 56794272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).