[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

C6H4N4O2 — CID 25323807

IUPAC[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccnc2ncnn12
InChIInChI=1S/C6H4N4O2/c11-5(12)4-1-2-7-6-8-3-9-10(4)6/h1-3H,(H,11,12)
InChIKeyXKPHOIBYGSRXTJ-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.18
Rot. Bonds1

About [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 25323807) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID25323807
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1ccnc2ncnn12
InChIInChI=1S/C6H4N4O2/c11-5(12)4-1-2-7-6-8-3-9-10(4)6/h1-3H,(H,11,12)
InChIKeyXKPHOIBYGSRXTJ-UHFFFAOYSA-N
XLogP-0.18
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 25323807) is [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1ccnc2ncnn12.
What is the InChIKey of [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is XKPHOIBYGSRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-5(12)4-1-2-7-6-8-3-9-10(4)6/h1-3H,(H,11,12).
What are the key properties of [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 25323807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).