N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide

C17H14FN5O2 — CID 17014902

IUPACN-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1
InChIInChI=1S/C17H14FN5O2/c1-10(24)11-3-2-4-13(9-11)20-17(25)15-16(19)23(22-21-15)14-7-5-12(18)6-8-14/h2-9H,19H2,1H3,(H,20,25)
InChIKeyUKSSAKLZENYQIW-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.44
Rot. Bonds4

About N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide

N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 17014902) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID17014902
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC NameN-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1
InChIInChI=1S/C17H14FN5O2/c1-10(24)11-3-2-4-13(9-11)20-17(25)15-16(19)23(22-21-15)14-7-5-12(18)6-8-14/h2-9H,19H2,1H3,(H,20,25)
InChIKeyUKSSAKLZENYQIW-UHFFFAOYSA-N
XLogP2.44
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
N-(3-acetylphenyl)-5-amino-1-(2-methylphenyl)triazole-4-carboxamide
CID 17015846
5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015793
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 1460729
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377534
1-(4-fluorophenyl)-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618962
N-(3-acetylphenyl)-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyltriazole-4-carboxamide
CID 17014803

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide (CID 17014902) is N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is UKSSAKLZENYQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-10(24)11-3-2-4-13(9-11)20-17(25)15-16(19)23(22-21-15)14-7-5-12(18)6-8-14/h2-9H,19H2,1H3,(H,20,25).
What are the key properties of N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 17014902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).