1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C15H21N5O2 — CID 3243462

IUPAC1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2nc(C)c(CCC(=O)N3CCOCC3)c(C)n2n1
InChIInChI=1S/C15H21N5O2/c1-10-13(4-5-14(21)19-6-8-22-9-7-19)11(2)20-15(16-10)17-12(3)18-20/h4-9H2,1-3H3
InChIKeyGGVRKNUGXXHFBL-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.84
Rot. Bonds3

About 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 3243462) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID3243462
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2nc(C)c(CCC(=O)N3CCOCC3)c(C)n2n1
InChIInChI=1S/C15H21N5O2/c1-10-13(4-5-14(21)19-6-8-22-9-7-19)11(2)20-15(16-10)17-12(3)18-20/h4-9H2,1-3H3
InChIKeyGGVRKNUGXXHFBL-UHFFFAOYSA-N
XLogP0.84
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 3243462) is 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1nc2nc(C)c(CCC(=O)N3CCOCC3)c(C)n2n1.
What is the InChIKey of 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is GGVRKNUGXXHFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-13(4-5-14(21)19-6-8-22-9-7-19)11(2)20-15(16-10)17-12(3)18-20/h4-9H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 303.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 3243462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).