5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine

C19H26FN5 — CID 25376302

IUPAC5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine
SMILESCC(C)CN1CCC(CNc2nncc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C19H26FN5/c1-14(2)13-25-9-7-15(8-10-25)11-21-19-23-18(12-22-24-19)16-5-3-4-6-17(16)20/h3-6,12,14-15H,7-11,13H2,1-2H3,(H,21,23,24)
InChIKeyVPQPFMKSMTZDFZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.46
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine

5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine (PubChem CID 25376302) has the molecular formula C19H26FN5 and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine
PubChem CID25376302
Molecular FormulaC19H26FN5
Molecular Weight343.45 g/mol
Exact Mass343.22
IUPAC Name5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine
SMILESCC(C)CN1CCC(CNc2nncc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C19H26FN5/c1-14(2)13-25-9-7-15(8-10-25)11-21-19-23-18(12-22-24-19)16-5-3-4-6-17(16)20/h3-6,12,14-15H,7-11,13H2,1-2H3,(H,21,23,24)
InChIKeyVPQPFMKSMTZDFZ-UHFFFAOYSA-N
XLogP3.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

Lorundrostat
CID 126567187
5-Phenyl-1,2,4-triazin-3-amine
CID 97081
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
6-(2,6-Dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 67364057
N-cyclohexyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404647
5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
N-benzyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404644
5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874248
6-(3,3-Dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354728
3-(3-fluorophenyl)-N-[2-(3-pyridyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
CID 58857924
6-(2,6-Dimethyl-4-pyridinyl)-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
CID 67364791
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007342

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine (CID 25376302) is 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine is CC(C)CN1CCC(CNc2nncc(-c3ccccc3F)n2)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine?
The InChIKey is VPQPFMKSMTZDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5/c1-14(2)13-25-9-7-15(8-10-25)11-21-19-23-18(12-22-24-19)16-5-3-4-6-17(16)20/h3-6,12,14-15H,7-11,13H2,1-2H3,(H,21,23,24).
What are the key properties of 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine?
5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 343.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 25376302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).