3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H22F3N5 — CID 134789234

IUPAC3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C18H22F3N5/c19-18(20,21)15-3-1-13(2-4-15)11-25-9-10-26-16(12-25)23-24-17(26)14-5-7-22-8-6-14/h1-4,14,22H,5-12H2
InChIKeyJGXNHWMADACCEH-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.78
Rot. Bonds3

About 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134789234) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134789234
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC Name3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1
InChIInChI=1S/C18H22F3N5/c19-18(20,21)15-3-1-13(2-4-15)11-25-9-10-26-16(12-25)23-24-17(26)14-5-7-22-8-6-14/h1-4,14,22H,5-12H2
InChIKeyJGXNHWMADACCEH-UHFFFAOYSA-N
XLogP2.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]-4-methyl-piperazine-1-carboxamide
CID 44565036
cis-(R)-2-(2,5-difluorophenyl)-1-(4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)cyclohexyl)ethanamine
CID 53317579
6-[4-(4-Fluorobenzyl)piperazin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine
CID 46893453
7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134789914
3-phenyl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134794686
3-benzyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 46941623
3-((3-fluorophenyl)methyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62586441
3-phenyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 75480397
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 45832274
Sdccgsbi-0659168.P001
CID 53193665
(E)-3-phenyl-N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]prop-2-en-1-amine
CID 53585754
1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70704966

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134789234) is 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1ccc(CN2CCn3c(nnc3C3CCNCC3)C2)cc1.
What is the InChIKey of 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JGXNHWMADACCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c19-18(20,21)15-3-1-13(2-4-15)11-25-9-10-26-16(12-25)23-24-17(26)14-5-7-22-8-6-14/h1-4,14,22H,5-12H2.
What are the key properties of 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 365.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134789234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).