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

C13H13N5O3 — CID 4887865

IUPACN-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)n3ncnc3N2)cc1
InChIInChI=1S/C13H13N5O3/c1-21-9-4-2-8(3-5-9)16-12(20)10-6-11(19)18-13(17-10)14-7-15-18/h2-5,7,10H,6H2,1H3,(H,16,20)(H,14,15,17)
InChIKeyJHKJENRGZZOAMZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.75
Rot. Bonds3

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

N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 4887865) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID4887865
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)n3ncnc3N2)cc1
InChIInChI=1S/C13H13N5O3/c1-21-9-4-2-8(3-5-9)16-12(20)10-6-11(19)18-13(17-10)14-7-15-18/h2-5,7,10H,6H2,1H3,(H,16,20)(H,14,15,17)
InChIKeyJHKJENRGZZOAMZ-UHFFFAOYSA-N
XLogP0.75
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 4887865) is N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(NC(=O)C2CC(=O)n3ncnc3N2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is JHKJENRGZZOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-21-9-4-2-8(3-5-9)16-12(20)10-6-11(19)18-13(17-10)14-7-15-18/h2-5,7,10H,6H2,1H3,(H,16,20)(H,14,15,17).
What are the key properties of N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 4887865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).