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

C14H19FN6O — CID 118165236

IUPAC3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(CCOc3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C14H19FN6O/c15-11-3-1-2-4-12(11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19)
InChIKeySEEORMUIIYQUMJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.73
Rot. Bonds5

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

3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 118165236) has the molecular formula C14H19FN6O and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID118165236
Molecular FormulaC14H19FN6O
Molecular Weight306.34 g/mol
Exact Mass306.16
IUPAC Name3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(CCOc3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C14H19FN6O/c15-11-3-1-2-4-12(11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19)
InChIKeySEEORMUIIYQUMJ-UHFFFAOYSA-N
XLogP0.73
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-{4-[2-(4-Bromophenoxy)ethyl]piperazin-1-Yl}-4h-1,2,4-Triazol-3-Amine
CID 13686033
3-[4-(3-phenoxypropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267652
4-(4-Fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 28822565
4-[3-(4-Fluorophenoxy)propyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53625627
1-[2-(2-Fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 56780589
4-[3-(4-fluorophenoxy)propyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 72122658
3-[4-[2-(4-bromophenoxy)ethyl]piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine
CID 72200475
1-[(1S)-1-[5-[(3-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]ethyl]piperidine
CID 164634543
3-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 118165170
3-[4-[2-(2-fluorophenoxy)propyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 118165180
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-2-(2-fluorophenoxy)propan-1-one
CID 118165277
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-2-(2,3-difluorophenoxy)propan-1-one
CID 118165339

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 118165236) is 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCN(CCOc3ccccc3F)CC2)n[nH]1.
What is the InChIKey of 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is SEEORMUIIYQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6O/c15-11-3-1-2-4-12(11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19).
What are the key properties of 3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 306.34 g/mol, XLogP of 0.73, 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)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 118165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).