7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

C14H12N4O2 — CID 103200368

IUPAC7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1ccc(-c2ccnc3nc(C(=O)O)nn23)cc1C
InChIInChI=1S/C14H12N4O2/c1-8-3-4-10(7-9(8)2)11-5-6-15-14-16-12(13(19)20)17-18(11)14/h3-7H,1-2H3,(H,19,20)
InChIKeyXKLYPERFCVLEGX-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.11
Rot. Bonds2

About 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 103200368) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID103200368
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1ccc(-c2ccnc3nc(C(=O)O)nn23)cc1C
InChIInChI=1S/C14H12N4O2/c1-8-3-4-10(7-9(8)2)11-5-6-15-14-16-12(13(19)20)17-18(11)14/h3-7H,1-2H3,(H,19,20)
InChIKeyXKLYPERFCVLEGX-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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Related Compounds

7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200320
methyl 7-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200418
methyl 7-(3-aminophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200375
methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200385
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
N-cyclopentyl-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109662
1-[7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]prop-2-yn-1-one;ethane;molecular hydrogen
CID 163264979
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 35839797
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8661797
2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201002
7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56921229
7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491531

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 103200368) is 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1ccc(-c2ccnc3nc(C(=O)O)nn23)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is XKLYPERFCVLEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-3-4-10(7-9(8)2)11-5-6-15-14-16-12(13(19)20)17-18(11)14/h3-7H,1-2H3,(H,19,20).
What are the key properties of 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-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 7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).