3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine

C19H19FN6 — CID 112955680

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
SMILESFc1ccc(N2CCN(c3nncc(Nc4ccccc4)n3)CC2)cc1
InChIInChI=1S/C19H19FN6/c20-15-6-8-17(9-7-15)25-10-12-26(13-11-25)19-23-18(14-21-24-19)22-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,23,24)
InChIKeyHTRILZGHMCQHKF-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.08
Rot. Bonds4

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine (PubChem CID 112955680) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
PubChem CID112955680
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
SMILESFc1ccc(N2CCN(c3nncc(Nc4ccccc4)n3)CC2)cc1
InChIInChI=1S/C19H19FN6/c20-15-6-8-17(9-7-15)25-10-12-26(13-11-25)19-23-18(14-21-24-19)22-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,23,24)
InChIKeyHTRILZGHMCQHKF-UHFFFAOYSA-N
XLogP3.08
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
1-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112955716
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112950754
N-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112961512
[4-[5-(4-fluoroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957824
3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
CID 112946446
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
4-[5-(4-phenoxyanilino)-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946795
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957323

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine (CID 112955680) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine is Fc1ccc(N2CCN(c3nncc(Nc4ccccc4)n3)CC2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
The InChIKey is HTRILZGHMCQHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c20-15-6-8-17(9-7-15)25-10-12-26(13-11-25)19-23-18(14-21-24-19)22-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,23,24).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine has a molecular weight of 350.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112955680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).