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

C14H12N4O2 — CID 28823008

IUPAC2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2nc(C)c(C(=O)O)c(-c3ccccc3)n2n1
InChIInChI=1S/C14H12N4O2/c1-8-11(13(19)20)12(10-6-4-3-5-7-10)18-14(15-8)16-9(2)17-18/h3-7H,1-2H3,(H,19,20)
InChIKeyWIKQQSHCEAXYDL-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.11
Rot. Bonds2

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

2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 28823008) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID28823008
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2nc(C)c(C(=O)O)c(-c3ccccc3)n2n1
InChIInChI=1S/C14H12N4O2/c1-8-11(13(19)20)12(10-6-4-3-5-7-10)18-14(15-8)16-9(2)17-18/h3-7H,1-2H3,(H,19,20)
InChIKeyWIKQQSHCEAXYDL-UHFFFAOYSA-N
XLogP2.11
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 28823008) is 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nc2nc(C)c(C(=O)O)c(-c3ccccc3)n2n1.
What is the InChIKey of 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is WIKQQSHCEAXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-11(13(19)20)12(10-6-4-3-5-7-10)18-14(15-8)16-9(2)17-18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28823008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).