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

C18H22F3N7O — CID 71706486

IUPAC[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)CC2)n1
InChIInChI=1S/C18H22F3N7O/c1-11-9-12(2)23-17(22-11)26-5-3-13(4-6-26)15(29)27-7-8-28-14(10-27)24-25-16(28)18(19,20)21/h9,13H,3-8,10H2,1-2H3
InChIKeyCNEMQBSOEXDGSO-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.96
Rot. Bonds2

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

[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 71706486) has the molecular formula C18H22F3N7O and a molecular weight of 409.42 g/mol. Its IUPAC name is [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID71706486
Molecular FormulaC18H22F3N7O
Molecular Weight409.42 g/mol
Exact Mass409.18
IUPAC Name[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)CC2)n1
InChIInChI=1S/C18H22F3N7O/c1-11-9-12(2)23-17(22-11)26-5-3-13(4-6-26)15(29)27-7-8-28-14(10-27)24-25-16(28)18(19,20)21/h9,13H,3-8,10H2,1-2H3
InChIKeyCNEMQBSOEXDGSO-UHFFFAOYSA-N
XLogP1.96
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 71706486) is [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1cc(C)nc(N2CCC(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)CC2)n1.
What is the InChIKey of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is CNEMQBSOEXDGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7O/c1-11-9-12(2)23-17(22-11)26-5-3-13(4-6-26)15(29)27-7-8-28-14(10-27)24-25-16(28)18(19,20)21/h9,13H,3-8,10H2,1-2H3.
What are the key properties of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 409.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 71706486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).