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

C18H15F3N4O4 — CID 91956759

IUPAC[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1Oc1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)o1
InChIInChI=1S/C18H15F3N4O4/c1-27-11-4-2-3-5-12(11)28-15-7-6-13(29-15)16(26)24-8-9-25-14(10-24)22-23-17(25)18(19,20)21/h2-7H,8-10H2,1H3
InChIKeyRSKOLICRENHZCM-UHFFFAOYSA-N
MW408.34 g/mol
LogP3.35
Rot. Bonds4

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

[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 91956759) has the molecular formula C18H15F3N4O4 and a molecular weight of 408.34 g/mol. Its IUPAC name is [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID91956759
Molecular FormulaC18H15F3N4O4
Molecular Weight408.34 g/mol
Exact Mass408.10
IUPAC Name[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1Oc1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)o1
InChIInChI=1S/C18H15F3N4O4/c1-27-11-4-2-3-5-12(11)28-15-7-6-13(29-15)16(26)24-8-9-25-14(10-24)22-23-17(25)18(19,20)21/h2-7H,8-10H2,1H3
InChIKeyRSKOLICRENHZCM-UHFFFAOYSA-N
XLogP3.35
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64576397
[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 75537760
[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956625
methyl 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 115642436
[4-methoxy-3-(2-pyridin-2-ylethynyl)phenyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 46946002
cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71918580
(E)-3-phenyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 75407661
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbothioic S-acid
CID 155331103
[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956656
(2-propylpyrazol-3-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956633
(5-chloro-2-fluorophenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 166178822
(4-ethoxy-1-benzofuran-6-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956743

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [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) is [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1ccccc1Oc1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)o1.
What is the InChIKey of [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is RSKOLICRENHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4/c1-27-11-4-2-3-5-12(11)28-15-7-6-13(29-15)16(26)24-8-9-25-14(10-24)22-23-17(25)18(19,20)21/h2-7H,8-10H2,1H3.
What are the key properties of [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 408.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 91956759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).