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

C11H14N4O2 — CID 970623

IUPACethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C11H14N4O2/c1-4-17-10(16)6-9-13-11-12-7(2)5-8(3)15(11)14-9/h5H,4,6H2,1-3H3
InChIKeyLUDDDZPTSZOSLL-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.85
Rot. Bonds3

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

ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (PubChem CID 970623) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
PubChem CID970623
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C11H14N4O2/c1-4-17-10(16)6-9-13-11-12-7(2)5-8(3)15(11)14-9/h5H,4,6H2,1-3H3
InChIKeyLUDDDZPTSZOSLL-UHFFFAOYSA-N
XLogP0.85
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine-2-propanol
CID 4885555
7-(Difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 603501
2-{5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid
CID 774409
5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 676511
Methyl [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
CID 713782
Ethyl [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetate
CID 714429
Methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 646869
5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 23635226
N-acetyl-N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 2185679
(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
CID 44141733
Ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate
CID 2305661
2,5,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 1398968

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (CID 970623) is ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is CCOC(=O)Cc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The InChIKey is LUDDDZPTSZOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-17-10(16)6-9-13-11-12-7(2)5-8(3)15(11)14-9/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate has a molecular weight of 234.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is sourced from PubChem (CID 970623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).