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

C13H13N5O2 — CID 4896840

IUPACN-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C13H13N5O2/c1-8-4-2-3-5-9(8)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)
InChIKeyNOTVAPXQSLUDJZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.05
Rot. Bonds2

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

N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 4896840) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID4896840
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C13H13N5O2/c1-8-4-2-3-5-9(8)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)
InChIKeyNOTVAPXQSLUDJZ-UHFFFAOYSA-N
XLogP1.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 4896840) is N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is Cc1ccccc1NC(=O)C1CC(=O)n2ncnc2N1.
What is the InChIKey of N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is NOTVAPXQSLUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-8-4-2-3-5-9(8)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-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 4896840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).