ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

C14H13N5O3 — CID 162649214

IUPACethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N)n2nc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C14H13N5O3/c1-2-22-13(21)10-7-16-14(15)19-12(10)17-11(18-19)8-3-5-9(20)6-4-8/h3-7,20H,2H2,1H3,(H2,15,16)
InChIKeyUFBJRQAGPMTDPO-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.26
Rot. Bonds3

About ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 162649214) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
PubChem CID162649214
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Nameethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N)n2nc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C14H13N5O3/c1-2-22-13(21)10-7-16-14(15)19-12(10)17-11(18-19)8-3-5-9(20)6-4-8/h3-7,20H,2H2,1H3,(H2,15,16)
InChIKeyUFBJRQAGPMTDPO-UHFFFAOYSA-N
XLogP1.26
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CID 162649214) is ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)c1cnc(N)n2nc(-c3ccc(O)cc3)nc12.
What is the InChIKey of ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is UFBJRQAGPMTDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-2-22-13(21)10-7-16-14(15)19-12(10)17-11(18-19)8-3-5-9(20)6-4-8/h3-7,20H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 162649214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).