(2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

C15H19N5O4 — CID 8817819

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCc1nc2ncnn2c(C)c1CC(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19N5O4/c1-10-12(11(2)20-15(18-10)16-9-17-20)7-14(22)24-8-13(21)19-3-5-23-6-4-19/h9H,3-8H2,1-2H3
InChIKeyYOSGRKYYQFHSBX-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.31
Rot. Bonds4

About (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

(2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 8817819) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID8817819
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCc1nc2ncnn2c(C)c1CC(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H19N5O4/c1-10-12(11(2)20-15(18-10)16-9-17-20)7-14(22)24-8-13(21)19-3-5-23-6-4-19/h9H,3-8H2,1-2H3
InChIKeyYOSGRKYYQFHSBX-UHFFFAOYSA-N
XLogP-0.31
TPSA98.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (CID 8817819) is (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is Cc1nc2ncnn2c(C)c1CC(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is YOSGRKYYQFHSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-10-12(11(2)20-15(18-10)16-9-17-20)7-14(22)24-8-13(21)19-3-5-23-6-4-19/h9H,3-8H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
(2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 333.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 8817819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).