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

C10H13N5O2 — CID 60810672

IUPACethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
SMILESCCOC(=O)CNc1cc(C)nc2ncnn12
InChIInChI=1S/C10H13N5O2/c1-3-17-9(16)5-11-8-4-7(2)14-10-12-6-13-15(8)10/h4,6,11H,3,5H2,1-2H3
InChIKeyOYSDTCZNLGGSOG-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.41
Rot. Bonds4

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

ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate (PubChem CID 60810672) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
PubChem CID60810672
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Nameethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
SMILESCCOC(=O)CNc1cc(C)nc2ncnn12
InChIInChI=1S/C10H13N5O2/c1-3-17-9(16)5-11-8-4-7(2)14-10-12-6-13-15(8)10/h4,6,11H,3,5H2,1-2H3
InChIKeyOYSDTCZNLGGSOG-UHFFFAOYSA-N
XLogP0.41
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate (CID 60810672) is ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate is CCOC(=O)CNc1cc(C)nc2ncnn12.
What is the InChIKey of ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate?
The InChIKey is OYSDTCZNLGGSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-17-9(16)5-11-8-4-7(2)14-10-12-6-13-15(8)10/h4,6,11H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate?
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate has a molecular weight of 235.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate is sourced from PubChem (CID 60810672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).