N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

C18H12FN5O — CID 110300429

IUPACN-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-c2nnc3ncccn23)cc1
InChIInChI=1S/C18H12FN5O/c19-14-6-8-15(9-7-14)21-17(25)13-4-2-12(3-5-13)16-22-23-18-20-10-1-11-24(16)18/h1-11H,(H,21,25)
InChIKeyNDNOEGYVXZYIFX-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.18
Rot. Bonds3

About N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (PubChem CID 110300429) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
PubChem CID110300429
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC NameN-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-c2nnc3ncccn23)cc1
InChIInChI=1S/C18H12FN5O/c19-14-6-8-15(9-7-14)21-17(25)13-4-2-12(3-5-13)16-22-23-18-20-10-1-11-24(16)18/h1-11H,(H,21,25)
InChIKeyNDNOEGYVXZYIFX-UHFFFAOYSA-N
XLogP3.18
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300473
N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300468
N-(2-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300467
N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415
N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300421
N-(5-acetyl-2-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618449
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300450
N-[3-(4-hydroxyphenyl)propyl]-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618114
N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300405
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110413329
N-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704051

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (CID 110300429) is N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(-c2nnc3ncccn23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The InChIKey is NDNOEGYVXZYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-14-6-8-15(9-7-14)21-17(25)13-4-2-12(3-5-13)16-22-23-18-20-10-1-11-24(16)18/h1-11H,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide has a molecular weight of 333.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 110300429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).