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

C17H14N4O3 — CID 135633328

IUPAC4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one
SMILESCc1cc(O)c(C2=Nc3ncnn3C(c3ccccc3)C2)c(=O)o1
InChIInChI=1S/C17H14N4O3/c1-10-7-14(22)15(16(23)24-10)12-8-13(11-5-3-2-4-6-11)21-17(20-12)18-9-19-21/h2-7,9,13,22H,8H2,1H3
InChIKeySMEXQYLPVKDRTE-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.36
Rot. Bonds2

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

4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one (PubChem CID 135633328) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(7-phenyl-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-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one
PubChem CID135633328
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one
SMILESCc1cc(O)c(C2=Nc3ncnn3C(c3ccccc3)C2)c(=O)o1
InChIInChI=1S/C17H14N4O3/c1-10-7-14(22)15(16(23)24-10)12-8-13(11-5-3-2-4-6-11)21-17(20-12)18-9-19-21/h2-7,9,13,22H,8H2,1H3
InChIKeySMEXQYLPVKDRTE-UHFFFAOYSA-N
XLogP2.36
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.36
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-phenyl-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-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one (CID 135633328) is 4-hydroxy-6-methyl-3-(7-phenyl-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-phenyl-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-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one is Cc1cc(O)c(C2=Nc3ncnn3C(c3ccccc3)C2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one?
The InChIKey is SMEXQYLPVKDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10-7-14(22)15(16(23)24-10)12-8-13(11-5-3-2-4-6-11)21-17(20-12)18-9-19-21/h2-7,9,13,22H,8H2,1H3.
What are the key properties of 4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one?
4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one has a molecular weight of 322.32 g/mol, XLogP of 2.36, 2 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-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one is sourced from PubChem (CID 135633328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).