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

C25H21N5O2 — CID 2933453

IUPACN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2
InChIInChI=1S/C25H21N5O2/c1-32-22-15-9-8-14-19(22)23(31)27-24-28-25-26-20(17-10-4-2-5-11-17)16-21(30(25)29-24)18-12-6-3-7-13-18/h2-16,21H,1H3,(H2,26,27,28,29,31)
InChIKeyXHPFVDKXNQLDKQ-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)-2-methoxybenzamide

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide (PubChem CID 2933453) 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)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
PubChem CID2933453
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)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2
InChIInChI=1S/C25H21N5O2/c1-32-22-15-9-8-14-19(22)23(31)27-24-28-25-26-20(17-10-4-2-5-11-17)16-21(30(25)29-24)18-12-6-3-7-13-18/h2-16,21H,1H3,(H2,26,27,28,29,31)
InChIKeyXHPFVDKXNQLDKQ-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)-2-methoxybenzamide?
The IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide (CID 2933453) is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2.
What is the InChIKey of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide?
The InChIKey is XHPFVDKXNQLDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-32-22-15-9-8-14-19(22)23(31)27-24-28-25-26-20(17-10-4-2-5-11-17)16-21(30(25)29-24)18-12-6-3-7-13-18/h2-16,21H,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)-2-methoxybenzamide?
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-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)-2-methoxybenzamide is sourced from PubChem (CID 2933453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).