N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

C20H19N5O2 — CID 3745344

IUPACN-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3nc(NC(C)=O)nn32)cc1
InChIInChI=1S/C20H19N5O2/c1-13(26)21-19-23-20-22-17(14-6-4-3-5-7-14)12-18(25(20)24-19)15-8-10-16(27-2)11-9-15/h3-12,18H,1-2H3,(H2,21,22,23,24,26)
InChIKeyMUULXXRIODTBLF-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.30
Rot. Bonds4

About N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 3745344) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID3745344
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3nc(NC(C)=O)nn32)cc1
InChIInChI=1S/C20H19N5O2/c1-13(26)21-19-23-20-22-17(14-6-4-3-5-7-14)12-18(25(20)24-19)15-8-10-16(27-2)11-9-15/h3-12,18H,1-2H3,(H2,21,22,23,24,26)
InChIKeyMUULXXRIODTBLF-UHFFFAOYSA-N
XLogP3.30
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 3745344) is N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is COc1ccc(C2C=C(c3ccccc3)Nc3nc(NC(C)=O)nn32)cc1.
What is the InChIKey of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is MUULXXRIODTBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(26)21-19-23-20-22-17(14-6-4-3-5-7-14)12-18(25(20)24-19)15-8-10-16(27-2)11-9-15/h3-12,18H,1-2H3,(H2,21,22,23,24,26).
What are the key properties of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 3745344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).