N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine

C17H17FN4O — CID 134589402

IUPACN-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
SMILESCC(C)Oc1ccc(F)c(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17FN4O/c1-12(2)23-14-8-9-15(18)16(10-14)20-17-19-11-22(21-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyAINUJSDLTAQWAZ-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.94
Rot. Bonds5

About N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine

N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine (PubChem CID 134589402) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
PubChem CID134589402
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
SMILESCC(C)Oc1ccc(F)c(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17FN4O/c1-12(2)23-14-8-9-15(18)16(10-14)20-17-19-11-22(21-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyAINUJSDLTAQWAZ-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-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589763
4-[(1-phenyl-1,2,4-triazol-3-yl)amino]-2-propan-2-yloxybenzonitrile
CID 134589185
N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589901
1-(3,4-difluorophenyl)-N-(5-methoxy-2,3-dimethylphenyl)-1,2,4-triazol-3-amine
CID 134589905
2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide
CID 134589530
2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589514
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
CID 134605763

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine (CID 134589402) is N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine is CC(C)Oc1ccc(F)c(Nc2ncn(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
The InChIKey is AINUJSDLTAQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12(2)23-14-8-9-15(18)16(10-14)20-17-19-11-22(21-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine?
N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-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 N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).