3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C16H20FN5 — CID 154882662

IUPAC3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1ccccc1N1CCN(Cc2nnc3n2CCC3)CC1
InChIInChI=1S/C16H20FN5/c17-13-4-1-2-5-14(13)21-10-8-20(9-11-21)12-16-19-18-15-6-3-7-22(15)16/h1-2,4-5H,3,6-12H2
InChIKeySCVONPJGBFFFSU-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.69
Rot. Bonds3

About 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 154882662) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID154882662
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1ccccc1N1CCN(Cc2nnc3n2CCC3)CC1
InChIInChI=1S/C16H20FN5/c17-13-4-1-2-5-14(13)21-10-8-20(9-11-21)12-16-19-18-15-6-3-7-22(15)16/h1-2,4-5H,3,6-12H2
InChIKeySCVONPJGBFFFSU-UHFFFAOYSA-N
XLogP1.69
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 24849789
3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 46688914
3-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 138038766
(3R)-1-(2-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 95779909
1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 171690442
1-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one
CID 30962190
naphthalen-1-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methanone
CID 46449540
tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 75526866
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
3-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 121185432
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11324351

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 154882662) is 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Fc1ccccc1N1CCN(Cc2nnc3n2CCC3)CC1.
What is the InChIKey of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is SCVONPJGBFFFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c17-13-4-1-2-5-14(13)21-10-8-20(9-11-21)12-16-19-18-15-6-3-7-22(15)16/h1-2,4-5H,3,6-12H2.
What are the key properties of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 301.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 154882662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).