[7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate

C13H19N5O2 — CID 15718306

IUPAC[7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate
SMILESCCN(CC)c1cc(C)nc2nc(COC(C)=O)nn12
InChIInChI=1S/C13H19N5O2/c1-5-17(6-2)12-7-9(3)14-13-15-11(16-18(12)13)8-20-10(4)19/h7H,5-6,8H2,1-4H3
InChIKeyZWIIPIIXYCUNCW-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.34
Rot. Bonds5

About [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate

[7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate (PubChem CID 15718306) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate
PubChem CID15718306
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate
SMILESCCN(CC)c1cc(C)nc2nc(COC(C)=O)nn12
InChIInChI=1S/C13H19N5O2/c1-5-17(6-2)12-7-9(3)14-13-15-11(16-18(12)13)8-20-10(4)19/h7H,5-6,8H2,1-4H3
InChIKeyZWIIPIIXYCUNCW-UHFFFAOYSA-N
XLogP1.34
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
The IUPAC name of [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate (CID 15718306) is [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate.
What is the SMILES notation for [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
The canonical SMILES for [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate is CCN(CC)c1cc(C)nc2nc(COC(C)=O)nn12.
What is the InChIKey of [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
The InChIKey is ZWIIPIIXYCUNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-5-17(6-2)12-7-9(3)14-13-15-11(16-18(12)13)8-20-10(4)19/h7H,5-6,8H2,1-4H3.
What are the key properties of [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
[7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate has a molecular weight of 277.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate is sourced from PubChem (CID 15718306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).