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

C15H15N5O2 — CID 661115

IUPACethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C15H15N5O2/c1-3-22-14(21)11-4-6-12(7-5-11)19-13-8-10(2)18-15-16-9-17-20(13)15/h4-9,19H,3H2,1-2H3
InChIKeyRLXPAXBFPOTWDF-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.35
Rot. Bonds4

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

ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate (PubChem CID 661115) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
PubChem CID661115
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Nameethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C15H15N5O2/c1-3-22-14(21)11-4-6-12(7-5-11)19-13-8-10(2)18-15-16-9-17-20(13)15/h4-9,19H,3H2,1-2H3
InChIKeyRLXPAXBFPOTWDF-UHFFFAOYSA-N
XLogP2.35
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate (CID 661115) is ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1.
What is the InChIKey of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
The InChIKey is RLXPAXBFPOTWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-3-22-14(21)11-4-6-12(7-5-11)19-13-8-10(2)18-15-16-9-17-20(13)15/h4-9,19H,3H2,1-2H3.
What are the key properties of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate?
ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate has a molecular weight of 297.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate is sourced from PubChem (CID 661115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).