[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H19FN6O — CID 17480979

IUPAC[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccn3)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN6O/c1-14-22-18(23-26(14)16-7-5-15(20)6-8-16)19(27)25-12-10-24(11-13-25)17-4-2-3-9-21-17/h2-9H,10-13H2,1H3
InChIKeyACXHQUXPFBHFBA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.07
Rot. Bonds3

About [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 17480979) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID17480979
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccn3)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN6O/c1-14-22-18(23-26(14)16-7-5-15(20)6-8-16)19(27)25-12-10-24(11-13-25)17-4-2-3-9-21-17/h2-9H,10-13H2,1H3
InChIKeyACXHQUXPFBHFBA-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]ethanone
CID 47014485
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 60593051
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16594851
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143718
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 90507795
(3S,4S)-1-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953076
(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42692541
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 9490031
[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3660331
N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide
CID 46651849
(4-benzylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42880815

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 17480979) is [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ACXHQUXPFBHFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-14-22-18(23-26(14)16-7-5-15(20)6-8-16)19(27)25-12-10-24(11-13-25)17-4-2-3-9-21-17/h2-9H,10-13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 17480979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).