N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide

C13H15FN4O2 — CID 79199960

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C13H15FN4O2/c14-11-7-10(17-13(20)3-1-2-6-19)4-5-12(11)18-9-15-8-16-18/h4-5,7-9,19H,1-3,6H2,(H,17,20)
InChIKeyFUKMAVZBBNGYOS-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.51
Rot. Bonds6

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide (PubChem CID 79199960) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
PubChem CID79199960
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C13H15FN4O2/c14-11-7-10(17-13(20)3-1-2-6-19)4-5-12(11)18-9-15-8-16-18/h4-5,7-9,19H,1-3,6H2,(H,17,20)
InChIKeyFUKMAVZBBNGYOS-UHFFFAOYSA-N
XLogP1.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
(E)-4-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60934573
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 55813608
2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 94962183
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042094
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62836603
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119731490

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide (CID 79199960) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide is O=C(CCCCO)Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide?
The InChIKey is FUKMAVZBBNGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c14-11-7-10(17-13(20)3-1-2-6-19)4-5-12(11)18-9-15-8-16-18/h4-5,7-9,19H,1-3,6H2,(H,17,20).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide has a molecular weight of 278.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide is sourced from PubChem (CID 79199960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).