2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C15H17F3N6O — CID 126931739

IUPAC2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1cc(N2CC3CN(Cc4nnc(C(F)(F)F)o4)CC3C2)ncn1
InChIInChI=1S/C15H17F3N6O/c1-9-2-12(20-8-19-9)24-5-10-3-23(4-11(10)6-24)7-13-21-22-14(25-13)15(16,17)18/h2,8,10-11H,3-7H2,1H3
InChIKeyIVKLTMIDDHKAKP-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.76
Rot. Bonds3

About 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 126931739) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID126931739
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1cc(N2CC3CN(Cc4nnc(C(F)(F)F)o4)CC3C2)ncn1
InChIInChI=1S/C15H17F3N6O/c1-9-2-12(20-8-19-9)24-5-10-3-23(4-11(10)6-24)7-13-21-22-14(25-13)15(16,17)18/h2,8,10-11H,3-7H2,1H3
InChIKeyIVKLTMIDDHKAKP-UHFFFAOYSA-N
XLogP1.76
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 126931739) is 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1cc(N2CC3CN(Cc4nnc(C(F)(F)F)o4)CC3C2)ncn1.
What is the InChIKey of 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is IVKLTMIDDHKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-9-2-12(20-8-19-9)24-5-10-3-23(4-11(10)6-24)7-13-21-22-14(25-13)15(16,17)18/h2,8,10-11H,3-7H2,1H3.
What are the key properties of 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 354.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126931739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).