1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine

C17H17FN4O — CID 134589818

IUPAC1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
SMILESCC(C)Oc1cccc(Nc2ncn(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C17H17FN4O/c1-12(2)23-16-8-4-6-14(10-16)20-17-19-11-22(21-17)15-7-3-5-13(18)9-15/h3-12H,1-2H3,(H,20,21)
InChIKeyQWKKQRUOKZQMEI-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.94
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine

1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine (PubChem CID 134589818) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
PubChem CID134589818
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
SMILESCC(C)Oc1cccc(Nc2ncn(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C17H17FN4O/c1-12(2)23-16-8-4-6-14(10-16)20-17-19-11-22(21-17)15-7-3-5-13(18)9-15/h3-12H,1-2H3,(H,20,21)
InChIKeyQWKKQRUOKZQMEI-UHFFFAOYSA-N
XLogP3.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
CID 134589675
N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589901
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine
CID 134589963
1-(3,4-difluorophenyl)-N-(3-fluoro-5-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134589554
4-[[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]amino]-N-(oxetan-3-yl)-2-propan-2-yloxybenzamide
CID 134589453
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 134589532

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine (CID 134589818) is 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine is CC(C)Oc1cccc(Nc2ncn(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
The InChIKey is QWKKQRUOKZQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12(2)23-16-8-4-6-14(10-16)20-17-19-11-22(21-17)15-7-3-5-13(18)9-15/h3-12H,1-2H3,(H,20,21).
What are the key properties of 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine?
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine has a molecular weight of 312.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).