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

C19H17F3N4O3 — CID 91956984

IUPAC[5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ccc(Oc2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3C)o2)cc1
InChIInChI=1S/C19H17F3N4O3/c1-11-3-5-13(6-4-11)28-15-8-7-14(29-15)17(27)25-9-10-26-16(12(25)2)23-24-18(26)19(20,21)22/h3-8,12H,9-10H2,1-2H3
InChIKeyOURPYLVRZDFANI-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.21
Rot. Bonds3

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

[5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 91956984) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID91956984
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name[5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ccc(Oc2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3C)o2)cc1
InChIInChI=1S/C19H17F3N4O3/c1-11-3-5-13(6-4-11)28-15-8-7-14(29-15)17(27)25-9-10-26-16(12(25)2)23-24-18(26)19(20,21)22/h3-8,12H,9-10H2,1-2H3
InChIKeyOURPYLVRZDFANI-UHFFFAOYSA-N
XLogP4.21
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methylphenyl)oxan-4-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956985
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 91957043
[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91956917
[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956845
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 91956898
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956947
[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956759
2,3,4a,8a-tetrahydro-1,4-benzodioxin-3-yl-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956916
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone
CID 91947097
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(4-methylphenyl)ethanone
CID 131694560
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 91956984) is [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1ccc(Oc2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3C)o2)cc1.
What is the InChIKey of [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is OURPYLVRZDFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-11-3-5-13(6-4-11)28-15-8-7-14(29-15)17(27)25-9-10-26-16(12(25)2)23-24-18(26)19(20,21)22/h3-8,12H,9-10H2,1-2H3.
What are the key properties of [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 406.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenoxy)furan-2-yl]-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 91956984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).