N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C21H19N5O3 — CID 4901479

IUPACN-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1
InChIInChI=1S/C21H19N5O3/c1-12-3-5-15(6-4-12)19-24-21-23-18(28)11-17(26(21)25-19)20(29)22-16-9-7-14(8-10-16)13(2)27/h3-10,17H,11H2,1-2H3,(H,22,29)(H,23,24,25,28)
InChIKeyRPORGJFGEQPYFQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.98
Rot. Bonds4

About N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 4901479) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID4901479
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1
InChIInChI=1S/C21H19N5O3/c1-12-3-5-15(6-4-12)19-24-21-23-18(28)11-17(26(21)25-19)20(29)22-16-9-7-14(8-10-16)13(2)27/h3-10,17H,11H2,1-2H3,(H,22,29)(H,23,24,25,28)
InChIKeyRPORGJFGEQPYFQ-UHFFFAOYSA-N
XLogP2.98
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 4901479) is N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is RPORGJFGEQPYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-3-5-15(6-4-12)19-24-21-23-18(28)11-17(26(21)25-19)20(29)22-16-9-7-14(8-10-16)13(2)27/h3-10,17H,11H2,1-2H3,(H,22,29)(H,23,24,25,28).
What are the key properties of N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 4901479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).