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

C14H19N5O2 — CID 3243570

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N5O2/c1-10-12(11(2)19-14(17-10)15-9-16-19)3-4-13(20)18-5-7-21-8-6-18/h9H,3-8H2,1-2H3
InChIKeyDJSCRQIGGMQHBR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.53
Rot. Bonds3

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 3243570) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID3243570
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N5O2/c1-10-12(11(2)19-14(17-10)15-9-16-19)3-4-13(20)18-5-7-21-8-6-18/h9H,3-8H2,1-2H3
InChIKeyDJSCRQIGGMQHBR-UHFFFAOYSA-N
XLogP0.53
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one (CID 3243570) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one is Cc1nc2ncnn2c(C)c1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is DJSCRQIGGMQHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-12(11(2)19-14(17-10)15-9-16-19)3-4-13(20)18-5-7-21-8-6-18/h9H,3-8H2,1-2H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 289.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3243570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).