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

C14H14N6O3 — CID 3160703

IUPACN-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C14H14N6O3/c1-8(21)17-9-2-4-10(5-3-9)18-13(23)11-6-12(22)19-14-15-7-16-20(11)14/h2-5,7,11H,6H2,1H3,(H,17,21)(H,18,23)(H,15,16,19,22)
InChIKeySATBBVIFHHXXOD-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.76
Rot. Bonds3

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

N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 3160703) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID3160703
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC NameN-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C14H14N6O3/c1-8(21)17-9-2-4-10(5-3-9)18-13(23)11-6-12(22)19-14-15-7-16-20(11)14/h2-5,7,11H,6H2,1H3,(H,17,21)(H,18,23)(H,15,16,19,22)
InChIKeySATBBVIFHHXXOD-UHFFFAOYSA-N
XLogP0.76
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 3160703) is N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3ncnn32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is SATBBVIFHHXXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-8(21)17-9-2-4-10(5-3-9)18-13(23)11-6-12(22)19-14-15-7-16-20(11)14/h2-5,7,11H,6H2,1H3,(H,17,21)(H,18,23)(H,15,16,19,22).
What are the key properties of N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 3160703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).