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

C15H21FN6O — CID 118165180

IUPAC3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCC(CN1CCN(c2n[nH]c(N)n2)CC1)Oc1ccccc1F
InChIInChI=1S/C15H21FN6O/c1-11(23-13-5-3-2-4-12(13)16)10-21-6-8-22(9-7-21)15-18-14(17)19-20-15/h2-5,11H,6-10H2,1H3,(H3,17,18,19,20)
InChIKeyGIALYNQTNHVCEN-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.12
Rot. Bonds5

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

3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 118165180) has the molecular formula C15H21FN6O and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID118165180
Molecular FormulaC15H21FN6O
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC Name3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCC(CN1CCN(c2n[nH]c(N)n2)CC1)Oc1ccccc1F
InChIInChI=1S/C15H21FN6O/c1-11(23-13-5-3-2-4-12(13)16)10-21-6-8-22(9-7-21)15-18-14(17)19-20-15/h2-5,11H,6-10H2,1H3,(H3,17,18,19,20)
InChIKeyGIALYNQTNHVCEN-UHFFFAOYSA-N
XLogP1.12
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 118165180) is 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine is CC(CN1CCN(c2n[nH]c(N)n2)CC1)Oc1ccccc1F.
What is the InChIKey of 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is GIALYNQTNHVCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O/c1-11(23-13-5-3-2-4-12(13)16)10-21-6-8-22(9-7-21)15-18-14(17)19-20-15/h2-5,11H,6-10H2,1H3,(H3,17,18,19,20).
What are the key properties of 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 320.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 118165180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).