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

C17H22FN5 — CID 134789914

IUPAC7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3c(nnc3C3CCCNC3)C2)cc1
InChIInChI=1S/C17H22FN5/c18-15-5-3-13(4-6-15)11-22-8-9-23-16(12-22)20-21-17(23)14-2-1-7-19-10-14/h3-6,14,19H,1-2,7-12H2
InChIKeyMAJPJVIEVRLWDL-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.90
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134789914) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134789914
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(CN2CCn3c(nnc3C3CCCNC3)C2)cc1
InChIInChI=1S/C17H22FN5/c18-15-5-3-13(4-6-15)11-22-8-9-23-16(12-22)20-21-17(23)14-2-1-7-19-10-14/h3-6,14,19H,1-2,7-12H2
InChIKeyMAJPJVIEVRLWDL-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine
CID 11538992
(1S,2R,5R)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine
CID 44431317
[(1S,2R,5S)-5-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-ium-7-yl]-2-(2,4,5-trifluorophenyl)cyclohexyl]azanium
CID 24916943
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
3-(4-Fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134157679
(2-fluorophenyl)-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134789851
3-phenyl-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134794686
3-(5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)piperidine
CID 53192257
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

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134789914) is 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(CN2CCn3c(nnc3C3CCCNC3)C2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MAJPJVIEVRLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c18-15-5-3-13(4-6-15)11-22-8-9-23-16(12-22)20-21-17(23)14-2-1-7-19-10-14/h3-6,14,19H,1-2,7-12H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 315.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134789914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).