ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

C14H13N5O3 — CID 162665805

IUPACethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C14H13N5O3/c1-2-22-13(21)10-7-16-14(15)19-12(10)17-11(18-19)8-4-3-5-9(20)6-8/h3-7,20H,2H2,1H3,(H2,15,16)
InChIKeyXAAGTHQSEPWECF-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.26
Rot. Bonds3

About ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 162665805) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
PubChem CID162665805
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Nameethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C14H13N5O3/c1-2-22-13(21)10-7-16-14(15)19-12(10)17-11(18-19)8-4-3-5-9(20)6-8/h3-7,20H,2H2,1H3,(H2,15,16)
InChIKeyXAAGTHQSEPWECF-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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Related Compounds

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CID 162659823
CID 162659823
CID 850378
CID 850378
CID 653953
CID 653953
CID 162646860
CID 162646860
CID 162647520
CID 162647520
CID 162652864
CID 162652864
CID 162654468
CID 162654468
CID 69846684
CID 69846684

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CID 162665805) is ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)c1cnc(N)n2nc(-c3cccc(O)c3)nc12.
What is the InChIKey of ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is XAAGTHQSEPWECF-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)8-4-3-5-9(20)6-8/h3-7,20H,2H2,1H3,(H2,15,16).
What are the key properties of ethyl 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
ethyl 5-amino-2-(3-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-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 162665805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).