3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

C12H15FN6 — CID 2764705

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C12H15FN6/c13-9-1-3-10(4-2-9)18-5-7-19(8-6-18)12-15-11(14)16-17-12/h1-4H,5-8H2,(H3,14,15,16,17)
InChIKeyWPCRXKWHEGPXCN-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.85
Rot. Bonds2

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 2764705) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID2764705
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C12H15FN6/c13-9-1-3-10(4-2-9)18-5-7-19(8-6-18)12-15-11(14)16-17-12/h1-4H,5-8H2,(H3,14,15,16,17)
InChIKeyWPCRXKWHEGPXCN-UHFFFAOYSA-N
XLogP0.85
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 76819
5-(4-Phenyl-1-piperazinyl)-1H-1,2,4-triazol-3-amine
CID 2764704
N-(4-Fluoro-phenyl)-6-hydrazino-N',N'-dimethyl-[1,3,5]triazine-2,4-diamine
CID 785754
3-[4-(3-chlorophenyl)piperazino]-1H-1,2,4-triazol-5-amine
CID 1474429
5-[4-(4-chlorophenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485882
5-[4-(4-fluorophenyl)piperazino]-1-methyl-1H-1,2,4-triazol-3-amine
CID 2764707
5-[4-(2,6-dimethylphenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485884
1-(4-fluorophenyl)-4-(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)piperazine
CID 3703880
3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267638
3-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267644
N-phenyl-1H-1,2,4-triazol-5-amine
CID 307865
Cambridge id 5662445
CID 802553

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 2764705) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCN(c3ccc(F)cc3)CC2)n[nH]1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is WPCRXKWHEGPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c13-9-1-3-10(4-2-9)18-5-7-19(8-6-18)12-15-11(14)16-17-12/h1-4H,5-8H2,(H3,14,15,16,17).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 262.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 2764705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).