N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide

C21H19N5O3 — CID 135448562

IUPACN-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
SMILESCOc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)CCc4ccccc4)n3n2)cc1
InChIInChI=1S/C21H19N5O3/c1-29-16-10-8-15(9-11-16)20-24-21-23-19(28)13-17(26(21)25-20)22-18(27)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,22,27)(H,23,24,25,28)
InChIKeyUHNHEASHKKHMBE-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide

N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide (PubChem CID 135448562) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
PubChem CID135448562
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
SMILESCOc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)CCc4ccccc4)n3n2)cc1
InChIInChI=1S/C21H19N5O3/c1-29-16-10-8-15(9-11-16)20-24-21-23-19(28)13-17(26(21)25-20)22-18(27)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,22,27)(H,23,24,25,28)
InChIKeyUHNHEASHKKHMBE-UHFFFAOYSA-N
XLogP2.66
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135519706
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylbenzamide
CID 135520756
N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
CID 135465198
4-tert-butyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456277
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide
CID 90515846
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide
CID 135472131
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
CID 135532049
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 136701520

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide (CID 135448562) is N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide is COc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)CCc4ccccc4)n3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide?
The InChIKey is UHNHEASHKKHMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-29-16-10-8-15(9-11-16)20-24-21-23-19(28)13-17(26(21)25-20)22-18(27)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,22,27)(H,23,24,25,28).
What are the key properties of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide?
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide has a molecular weight of 389.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide is sourced from PubChem (CID 135448562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).