ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate

C13H19N5O2 — CID 133363441

IUPACethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1cc(CC)nc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-4-10-7-11(18-13(17-10)14-8-15-18)16-9(3)6-12(19)20-5-2/h7-9,16H,4-6H2,1-3H3
InChIKeyOSOMXZXBWQBFCB-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.44
Rot. Bonds6

About ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate

ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate (PubChem CID 133363441) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
PubChem CID133363441
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1cc(CC)nc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-4-10-7-11(18-13(17-10)14-8-15-18)16-9(3)6-12(19)20-5-2/h7-9,16H,4-6H2,1-3H3
InChIKeyOSOMXZXBWQBFCB-UHFFFAOYSA-N
XLogP1.44
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate (CID 133363441) is ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate is CCOC(=O)CC(C)Nc1cc(CC)nc2ncnn12.
What is the InChIKey of ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
The InChIKey is OSOMXZXBWQBFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-10-7-11(18-13(17-10)14-8-15-18)16-9(3)6-12(19)20-5-2/h7-9,16H,4-6H2,1-3H3.
What are the key properties of ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate has a molecular weight of 277.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate is sourced from PubChem (CID 133363441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).