N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide

C13H13N5O3 — CID 135632873

IUPACN-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)Nc3nncn32)cc1
InChIInChI=1S/C13H13N5O3/c1-21-9-4-2-8(3-5-9)15-12(20)10-6-11(19)16-13-17-14-7-18(10)13/h2-5,7,10H,6H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyPSONFVQNCSQJDD-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.81
Rot. Bonds3

About N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide

N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide (PubChem CID 135632873) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
PubChem CID135632873
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)Nc3nncn32)cc1
InChIInChI=1S/C13H13N5O3/c1-21-9-4-2-8(3-5-9)15-12(20)10-6-11(19)16-13-17-14-7-18(10)13/h2-5,7,10H,6H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyPSONFVQNCSQJDD-UHFFFAOYSA-N
XLogP0.81
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4910489
(7S)-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938274
N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 135658700
(7R)-N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938267
(7S)-2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901652
(7R)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938263
(7R)-N-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135901959
(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938283
N-(2,4-dimethoxyphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4899941
N-(4-fluorophenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4906492
(7R)-N-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136865734
N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160703

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide (CID 135632873) is N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide is COc1ccc(NC(=O)C2CC(=O)Nc3nncn32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
The InChIKey is PSONFVQNCSQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-21-9-4-2-8(3-5-9)15-12(20)10-6-11(19)16-13-17-14-7-18(10)13/h2-5,7,10H,6H2,1H3,(H,15,20)(H,16,17,19).
What are the key properties of N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 135632873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).