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

C20H19N5O2 — CID 4975049

IUPACN-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccccc4)nn32)cc1
InChIInChI=1S/C20H19N5O2/c1-2-13-8-10-15(11-9-13)21-19(27)16-12-17(26)22-20-23-18(24-25(16)20)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,21,27)(H,22,23,24,26)
InChIKeyLOMVCPQEOMBXSY-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.03
Rot. Bonds4

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

N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 4975049) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID4975049
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccccc4)nn32)cc1
InChIInChI=1S/C20H19N5O2/c1-2-13-8-10-15(11-9-13)21-19(27)16-12-17(26)22-20-23-18(24-25(16)20)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,21,27)(H,22,23,24,26)
InChIKeyLOMVCPQEOMBXSY-UHFFFAOYSA-N
XLogP3.03
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.03
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-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 4975049) is N-(4-ethylphenyl)-5-oxo-2-phenyl-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-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CCc1ccc(NC(=O)C2CC(=O)Nc3nc(-c4ccccc4)nn32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is LOMVCPQEOMBXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-2-13-8-10-15(11-9-13)21-19(27)16-12-17(26)22-20-23-18(24-25(16)20)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,21,27)(H,22,23,24,26).
What are the key properties of N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(4-ethylphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.03, 4 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-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 4975049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).