4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one

C20H20N4O3 — CID 136666277

IUPAC4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one
SMILESCc1cc(O)c(C2=Nc3ncnn3C(c3ccc(C(C)C)cc3)C2)c(=O)o1
InChIInChI=1S/C20H20N4O3/c1-11(2)13-4-6-14(7-5-13)16-9-15(23-20-21-10-22-24(16)20)18-17(25)8-12(3)27-19(18)26/h4-8,10-11,16,25H,9H2,1-3H3
InChIKeyZGTKJWBTUPLHMP-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.48
Rot. Bonds3

About 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one

4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one (PubChem CID 136666277) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one
PubChem CID136666277
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one
SMILESCc1cc(O)c(C2=Nc3ncnn3C(c3ccc(C(C)C)cc3)C2)c(=O)o1
InChIInChI=1S/C20H20N4O3/c1-11(2)13-4-6-14(7-5-13)16-9-15(23-20-21-10-22-24(16)20)18-17(25)8-12(3)27-19(18)26/h4-8,10-11,16,25H,9H2,1-3H3
InChIKeyZGTKJWBTUPLHMP-UHFFFAOYSA-N
XLogP3.48
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one (CID 136666277) is 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one is Cc1cc(O)c(C2=Nc3ncnn3C(c3ccc(C(C)C)cc3)C2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one?
The InChIKey is ZGTKJWBTUPLHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11(2)13-4-6-14(7-5-13)16-9-15(23-20-21-10-22-24(16)20)18-17(25)8-12(3)27-19(18)26/h4-8,10-11,16,25H,9H2,1-3H3.
What are the key properties of 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one?
4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one has a molecular weight of 364.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[7-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyran-2-one is sourced from PubChem (CID 136666277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).