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

C7H7N5O2S — CID 2774833

IUPAC7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCSc1nc2ncc(C(=O)O)c(N)n2n1
InChIInChI=1S/C7H7N5O2S/c1-15-7-10-6-9-2-3(5(13)14)4(8)12(6)11-7/h2H,8H2,1H3,(H,13,14)
InChIKeyLGVRZGGAFXBZNJ-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.13
Rot. Bonds2

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

7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 2774833) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID2774833
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCSc1nc2ncc(C(=O)O)c(N)n2n1
InChIInChI=1S/C7H7N5O2S/c1-15-7-10-6-9-2-3(5(13)14)4(8)12(6)11-7/h2H,8H2,1H3,(H,13,14)
InChIKeyLGVRZGGAFXBZNJ-UHFFFAOYSA-N
XLogP0.13
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 2774833) is 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is CSc1nc2ncc(C(=O)O)c(N)n2n1.
What is the InChIKey of 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is LGVRZGGAFXBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c1-15-7-10-6-9-2-3(5(13)14)4(8)12(6)11-7/h2H,8H2,1H3,(H,13,14).
What are the key properties of 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 225.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 2774833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).