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

C19H17N5O — CID 2921551

IUPACN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2
InChIInChI=1S/C19H17N5O/c1-13(25)20-18-22-19-21-16(14-8-4-2-5-9-14)12-17(24(19)23-18)15-10-6-3-7-11-15/h2-12,17H,1H3,(H2,20,21,22,23,25)
InChIKeyITAYCPJRRCJTIL-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.29
Rot. Bonds3

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

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 2921551) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID2921551
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2
InChIInChI=1S/C19H17N5O/c1-13(25)20-18-22-19-21-16(14-8-4-2-5-9-14)12-17(24(19)23-18)15-10-6-3-7-11-15/h2-12,17H,1H3,(H2,20,21,22,23,25)
InChIKeyITAYCPJRRCJTIL-UHFFFAOYSA-N
XLogP3.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.29
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)acetamide?
The IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 2921551) is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=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)acetamide?
The InChIKey is ITAYCPJRRCJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13(25)20-18-22-19-21-16(14-8-4-2-5-9-14)12-17(24(19)23-18)15-10-6-3-7-11-15/h2-12,17H,1H3,(H2,20,21,22,23,25).
What are the key properties of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 3.29, 3 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)acetamide is sourced from PubChem (CID 2921551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).