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

C25H21N5O2 — CID 2931606

IUPACN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(c2ccccc2)N3)cc1
InChIInChI=1S/C25H21N5O2/c1-32-20-14-12-19(13-15-20)23(31)27-24-28-25-26-21(17-8-4-2-5-9-17)16-22(30(25)29-24)18-10-6-3-7-11-18/h2-16,22H,1H3,(H2,26,27,28,29,31)
InChIKeyPAGYBILODYZFBO-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.59
Rot. Bonds5

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

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide (PubChem CID 2931606) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide
PubChem CID2931606
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(c2ccccc2)N3)cc1
InChIInChI=1S/C25H21N5O2/c1-32-20-14-12-19(13-15-20)23(31)27-24-28-25-26-21(17-8-4-2-5-9-17)16-22(30(25)29-24)18-10-6-3-7-11-18/h2-16,22H,1H3,(H2,26,27,28,29,31)
InChIKeyPAGYBILODYZFBO-UHFFFAOYSA-N
XLogP4.59
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methoxybenzamide?
The IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide (CID 2931606) is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(c2ccccc2)N3)cc1.
What is the InChIKey of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide?
The InChIKey is PAGYBILODYZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-32-20-14-12-19(13-15-20)23(31)27-24-28-25-26-21(17-8-4-2-5-9-17)16-22(30(25)29-24)18-10-6-3-7-11-18/h2-16,22H,1H3,(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-methoxybenzamide?
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methoxybenzamide has a molecular weight of 423.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methoxybenzamide is sourced from PubChem (CID 2931606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).