4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one

C17H14N4O4 — CID 136842657

IUPAC4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one
SMILESCc1cc(O)c(C2=Nc3ncnn3[C@@H](c3cccc(O)c3)C2)c(=O)o1
InChIInChI=1S/C17H14N4O4/c1-9-5-14(23)15(16(24)25-9)12-7-13(10-3-2-4-11(22)6-10)21-17(20-12)18-8-19-21/h2-6,8,13,22-23H,7H2,1H3/t13-/m1/s1
InChIKeyMBDKHVCRPCOJRH-CYBMUJFWSA-N
MW338.32 g/mol
LogP2.06
Rot. Bonds2

About 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one

4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one (PubChem CID 136842657) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one
PubChem CID136842657
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one
SMILESCc1cc(O)c(C2=Nc3ncnn3[C@@H](c3cccc(O)c3)C2)c(=O)o1
InChIInChI=1S/C17H14N4O4/c1-9-5-14(23)15(16(24)25-9)12-7-13(10-3-2-4-11(22)6-10)21-17(20-12)18-8-19-21/h2-6,8,13,22-23H,7H2,1H3/t13-/m1/s1
InChIKeyMBDKHVCRPCOJRH-CYBMUJFWSA-N
XLogP2.06
TPSA113.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one with MolForge

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Related Compounds

4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one
CID 135633328
4-hydroxy-3-[(7S)-7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methylpyran-2-one
CID 135726775
(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135894824
7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135652087
4-hydroxy-6-methyl-3-[(3S)-3-phenyl-2-propanoyl-3,4-dihydropyrazol-5-yl]pyran-2-one
CID 136842664
4-hydroxy-3-[2-(4-hydroxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methylpyran-2-one
CID 135526710
4-hydroxy-3-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methylpyran-2-one
CID 135688491
4-hydroxy-3-[(2R)-2-(2-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methylpyran-2-one
CID 137168763
3-[(2S)-2-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-6-methylpyran-2-one
CID 136676786
4-hydroxy-6-methyl-3-[2-(4-piperazin-1-ylphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]pyran-2-one
CID 136835844
3-[2-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methylpyran-2-one
CID 135400390
4-hydroxy-6-methyl-3-[(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]pyran-2-one
CID 136688452

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one?
The IUPAC name of 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one (CID 136842657) is 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one is Cc1cc(O)c(C2=Nc3ncnn3[C@@H](c3cccc(O)c3)C2)c(=O)o1.
What is the InChIKey of 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one?
The InChIKey is MBDKHVCRPCOJRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-9-5-14(23)15(16(24)25-9)12-7-13(10-3-2-4-11(22)6-10)21-17(20-12)18-8-19-21/h2-6,8,13,22-23H,7H2,1H3/t13-/m1/s1.
What are the key properties of 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one?
4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one has a molecular weight of 338.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one is sourced from PubChem (CID 136842657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).