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

C13H17FN6 — CID 2764707

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN6/c1-18-13(16-12(15)17-18)20-8-6-19(7-9-20)11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H2,15,17)
InChIKeyFXJSLYLCOIANNG-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.86
Rot. Bonds2

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

5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine (PubChem CID 2764707) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine
PubChem CID2764707
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN6/c1-18-13(16-12(15)17-18)20-8-6-19(7-9-20)11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H2,15,17)
InChIKeyFXJSLYLCOIANNG-UHFFFAOYSA-N
XLogP0.86
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine (CID 2764707) is 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine is Cn1nc(N)nc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is FXJSLYLCOIANNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-18-13(16-12(15)17-18)20-8-6-19(7-9-20)11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H2,15,17).
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine?
5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 276.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 2764707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).