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

C8H7N5O4 — CID 59461318

IUPAC2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)nc2nc(N)nn12
InChIInChI=1S/C8H7N5O4/c1-17-6(16)4-2-3(5(14)15)10-8-11-7(9)12-13(4)8/h2H,1H3,(H2,9,12)(H,14,15)
InChIKeyROGJPELCAUOSBF-UHFFFAOYSA-N
MW237.17 g/mol
LogP-0.81
Rot. Bonds2

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

2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 59461318) has the molecular formula C8H7N5O4 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID59461318
Molecular FormulaC8H7N5O4
Molecular Weight237.17 g/mol
Exact Mass237.05
IUPAC Name2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)nc2nc(N)nn12
InChIInChI=1S/C8H7N5O4/c1-17-6(16)4-2-3(5(14)15)10-8-11-7(9)12-13(4)8/h2H,1H3,(H2,9,12)(H,14,15)
InChIKeyROGJPELCAUOSBF-UHFFFAOYSA-N
XLogP-0.81
TPSA132.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 59461318) is 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is COC(=O)c1cc(C(=O)O)nc2nc(N)nn12.
What is the InChIKey of 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ROGJPELCAUOSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O4/c1-17-6(16)4-2-3(5(14)15)10-8-11-7(9)12-13(4)8/h2H,1H3,(H2,9,12)(H,14,15).
What are the key properties of 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 237.17 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 59461318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).