7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

C6H5N5O2 — CID 25219471

IUPAC7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ncnn12
InChIInChI=1S/C6H5N5O2/c7-4-3(5(12)13)1-8-6-9-2-10-11(4)6/h1-2H,7H2,(H,12,13)
InChIKeyPTSICDOKXJVZBO-UHFFFAOYSA-N
MW179.14 g/mol
LogP-0.60
Rot. Bonds1

About 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 25219471) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID25219471
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ncnn12
InChIInChI=1S/C6H5N5O2/c7-4-3(5(12)13)1-8-6-9-2-10-11(4)6/h1-2H,7H2,(H,12,13)
InChIKeyPTSICDOKXJVZBO-UHFFFAOYSA-N
XLogP-0.60
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6485410
Ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 974047
Ethyl 7-amino-2-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylate
CID 1509622
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
6-Bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 25220793
7-Amino-2-(4-morpholinyl)(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5172373
3,6-Diethyl 7-aminopyrazolo(1,5-a)pyrimidine-3,6-dicarboxylate
CID 2816389
7-Amino-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2774833
3-(4-Amino-pyrazolo[3,4-d]pyrimidin-1-yl)-propionic acid
CID 21587661
Ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1252117
4-Amino-2H-pyrazolo[3,4-d]pyrimidine-2-propanoic acid
CID 10727013
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 19883261

Frequently Asked Questions

What is the IUPAC name of 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 25219471) is 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is Nc1c(C(=O)O)cnc2ncnn12.
What is the InChIKey of 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is PTSICDOKXJVZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c7-4-3(5(12)13)1-8-6-9-2-10-11(4)6/h1-2H,7H2,(H,12,13).
What are the key properties of 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 25219471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).