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

C8H8N4O2 — CID 676511

IUPAC5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C)n2nc(C(=O)O)nc2n1
InChIInChI=1S/C8H8N4O2/c1-4-3-5(2)12-8(9-4)10-6(11-12)7(13)14/h3H,1-2H3,(H,13,14)
InChIKeyLIVBNPDDJKFYDF-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.44
Rot. Bonds1

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

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 676511) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID676511
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C)n2nc(C(=O)O)nc2n1
InChIInChI=1S/C8H8N4O2/c1-4-3-5(2)12-8(9-4)10-6(11-12)7(13)14/h3H,1-2H3,(H,13,14)
InChIKeyLIVBNPDDJKFYDF-UHFFFAOYSA-N
XLogP0.44
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 676511) is 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(C)n2nc(C(=O)O)nc2n1.
What is the InChIKey of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is LIVBNPDDJKFYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-3-5(2)12-8(9-4)10-6(11-12)7(13)14/h3H,1-2H3,(H,13,14).
What are the key properties of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 676511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).