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

C20H18ClN5O2 — CID 4909447

IUPAC2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1
InChIInChI=1S/C20H18ClN5O2/c1-2-12-3-9-15(10-4-12)22-19(28)16-11-17(27)23-20-24-18(25-26(16)20)13-5-7-14(21)8-6-13/h3-10,16H,2,11H2,1H3,(H,22,28)(H,23,24,25,27)
InChIKeyGWOPCEDGRIZJJM-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.68
Rot. Bonds4

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

2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 4909447) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID4909447
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1
InChIInChI=1S/C20H18ClN5O2/c1-2-12-3-9-15(10-4-12)22-19(28)16-11-17(27)23-20-24-18(25-26(16)20)13-5-7-14(21)8-6-13/h3-10,16H,2,11H2,1H3,(H,22,28)(H,23,24,25,27)
InChIKeyGWOPCEDGRIZJJM-UHFFFAOYSA-N
XLogP3.68
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4975049
(7R)-N-(4-chlorophenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881630
(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
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4910489
N-(4-acetylphenyl)-2-(4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4901479
(7R)-N-(4-ethylphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 137095726
(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)-5-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938240
(7S)-N-(4-acetamidophenyl)-5-oxo-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135958099
(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-(5-chloro-2-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938233
(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 4909447) is 2-(4-chlorophenyl)-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 2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-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)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is GWOPCEDGRIZJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-2-12-3-9-15(10-4-12)22-19(28)16-11-17(27)23-20-24-18(25-26(16)20)13-5-7-14(21)8-6-13/h3-10,16H,2,11H2,1H3,(H,22,28)(H,23,24,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-ethylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 4909447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).