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

C7H7N5O2 — CID 84719956

IUPAC2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cc(C(=O)O)n2nc(N)nc2n1
InChIInChI=1S/C7H7N5O2/c1-3-2-4(5(13)14)12-7(9-3)10-6(8)11-12/h2H,1H3,(H2,8,11)(H,13,14)
InChIKeyKDVXBRYTSZRSAY-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.29
Rot. Bonds1

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

2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 84719956) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID84719956
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cc(C(=O)O)n2nc(N)nc2n1
InChIInChI=1S/C7H7N5O2/c1-3-2-4(5(13)14)12-7(9-3)10-6(8)11-12/h2H,1H3,(H2,8,11)(H,13,14)
InChIKeyKDVXBRYTSZRSAY-UHFFFAOYSA-N
XLogP-0.29
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 84719956) is 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1cc(C(=O)O)n2nc(N)nc2n1.
What is the InChIKey of 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is KDVXBRYTSZRSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-3-2-4(5(13)14)12-7(9-3)10-6(8)11-12/h2H,1H3,(H2,8,11)(H,13,14).
What are the key properties of 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 193.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 84719956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).