N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide

C24H18FN5O — CID 3776817

IUPACN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccc(F)cc1
InChIInChI=1S/C24H18FN5O/c25-19-13-11-18(12-14-19)22(31)27-23-28-24-26-20(16-7-3-1-4-8-16)15-21(30(24)29-23)17-9-5-2-6-10-17/h1-15,21H,(H2,26,27,28,29,31)
InChIKeyYAGIMAIBHINPKF-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.73
Rot. Bonds4

About N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide (PubChem CID 3776817) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
PubChem CID3776817
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccc(F)cc1
InChIInChI=1S/C24H18FN5O/c25-19-13-11-18(12-14-19)22(31)27-23-28-24-26-20(16-7-3-1-4-8-16)15-21(30(24)29-23)17-9-5-2-6-10-17/h1-15,21H,(H2,26,27,28,29,31)
InChIKeyYAGIMAIBHINPKF-UHFFFAOYSA-N
XLogP4.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide (CID 3776817) is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide is O=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccc(F)cc1.
What is the InChIKey of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide?
The InChIKey is YAGIMAIBHINPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c25-19-13-11-18(12-14-19)22(31)27-23-28-24-26-20(16-7-3-1-4-8-16)15-21(30(24)29-23)17-9-5-2-6-10-17/h1-15,21H,(H2,26,27,28,29,31).
What are the key properties of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide?
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide has a molecular weight of 411.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 3776817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).