3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one

C19H20N6O2 — CID 133325272

IUPAC3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
SMILESCc1nc2ncnn2c(N2CCc3c(cccc3N3CCOC3=O)C2)c1C
InChIInChI=1S/C19H20N6O2/c1-12-13(2)22-18-20-11-21-25(18)17(12)23-7-6-15-14(10-23)4-3-5-16(15)24-8-9-27-19(24)26/h3-5,11H,6-10H2,1-2H3
InChIKeyABCYBUXPXWXBOQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.26
Rot. Bonds2

About 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one

3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 133325272) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
PubChem CID133325272
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
SMILESCc1nc2ncnn2c(N2CCc3c(cccc3N3CCOC3=O)C2)c1C
InChIInChI=1S/C19H20N6O2/c1-12-13(2)22-18-20-11-21-25(18)17(12)23-7-6-15-14(10-23)4-3-5-16(15)24-8-9-27-19(24)26/h3-5,11H,6-10H2,1-2H3
InChIKeyABCYBUXPXWXBOQ-UHFFFAOYSA-N
XLogP2.26
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one (CID 133325272) is 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one is Cc1nc2ncnn2c(N2CCc3c(cccc3N3CCOC3=O)C2)c1C.
What is the InChIKey of 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is ABCYBUXPXWXBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-13(2)22-18-20-11-21-25(18)17(12)23-7-6-15-14(10-23)4-3-5-16(15)24-8-9-27-19(24)26/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 364.41 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133325272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).