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

C14H15N5O2 — CID 3891102

IUPACN-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C14H15N5O2/c1-2-9-3-5-10(6-4-9)17-13(21)11-7-12(20)18-14-15-8-16-19(11)14/h3-6,8,11H,2,7H2,1H3,(H,17,21)(H,15,16,18,20)
InChIKeyCFHIXJGXYPIYRW-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.36
Rot. Bonds3

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

N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 3891102) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID3891102
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C14H15N5O2/c1-2-9-3-5-10(6-4-9)17-13(21)11-7-12(20)18-14-15-8-16-19(11)14/h3-6,8,11H,2,7H2,1H3,(H,17,21)(H,15,16,18,20)
InChIKeyCFHIXJGXYPIYRW-UHFFFAOYSA-N
XLogP1.36
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 3891102) is N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CCc1ccc(NC(=O)C2CC(=O)Nc3ncnn32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is CFHIXJGXYPIYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-2-9-3-5-10(6-4-9)17-13(21)11-7-12(20)18-14-15-8-16-19(11)14/h3-6,8,11H,2,7H2,1H3,(H,17,21)(H,15,16,18,20).
What are the key properties of N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 3891102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).