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

C12H9N5O3 — CID 162669563

IUPAC5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
SMILESNc1ncc(C(=O)O)c2nc(-c3cccc(O)c3)nn12
InChIInChI=1S/C12H9N5O3/c13-12-14-5-8(11(19)20)10-15-9(16-17(10)12)6-2-1-3-7(18)4-6/h1-5,18H,(H2,13,14)(H,19,20)
InChIKeyHEPVTQVKWDICCG-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.78
Rot. Bonds2

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

5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid (PubChem CID 162669563) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
PubChem CID162669563
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
SMILESNc1ncc(C(=O)O)c2nc(-c3cccc(O)c3)nn12
InChIInChI=1S/C12H9N5O3/c13-12-14-5-8(11(19)20)10-15-9(16-17(10)12)6-2-1-3-7(18)4-6/h1-5,18H,(H2,13,14)(H,19,20)
InChIKeyHEPVTQVKWDICCG-UHFFFAOYSA-N
XLogP0.78
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
The IUPAC name of 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid (CID 162669563) is 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid is Nc1ncc(C(=O)O)c2nc(-c3cccc(O)c3)nn12.
What is the InChIKey of 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
The InChIKey is HEPVTQVKWDICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c13-12-14-5-8(11(19)20)10-15-9(16-17(10)12)6-2-1-3-7(18)4-6/h1-5,18H,(H2,13,14)(H,19,20).
What are the key properties of 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid?
5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid has a molecular weight of 271.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 162669563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).