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

C13H10N4O2S — CID 51087563

IUPAC5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2nc(-c3cccs3)nn12
InChIInChI=1S/C13H10N4O2S/c18-12(19)9-6-8(7-3-4-7)14-13-15-11(16-17(9)13)10-2-1-5-20-10/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyGCMGFWPJODILHH-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.43
Rot. Bonds3

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

5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 51087563) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID51087563
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2nc(-c3cccs3)nn12
InChIInChI=1S/C13H10N4O2S/c18-12(19)9-6-8(7-3-4-7)14-13-15-11(16-17(9)13)10-2-1-5-20-10/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyGCMGFWPJODILHH-UHFFFAOYSA-N
XLogP2.43
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 83102585
5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104816759
1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 121211052
5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63823374
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 50750115
1-benzyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 82378437
7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514718
8-phenyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505888
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
N-benzyl-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 50750178
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 51087563) is 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is O=C(O)c1cc(C2CC2)nc2nc(-c3cccs3)nn12.
What is the InChIKey of 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is GCMGFWPJODILHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-12(19)9-6-8(7-3-4-7)14-13-15-11(16-17(9)13)10-2-1-5-20-10/h1-2,5-7H,3-4H2,(H,18,19).
What are the key properties of 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 286.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 51087563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).