2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C7H5N5O4 — CID 165494783

IUPAC2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2c([N+](=O)[O-])c(C(=O)O)ccn2n1
InChIInChI=1S/C7H5N5O4/c8-7-9-5-4(12(15)16)3(6(13)14)1-2-11(5)10-7/h1-2H,(H2,8,10)(H,13,14)
InChIKeyCSWVYKPMZSVADG-UHFFFAOYSA-N
MW223.15 g/mol
LogP-0.08
Rot. Bonds2

About 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 165494783) has the molecular formula C7H5N5O4 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID165494783
Molecular FormulaC7H5N5O4
Molecular Weight223.15 g/mol
Exact Mass223.03
IUPAC Name2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2c([N+](=O)[O-])c(C(=O)O)ccn2n1
InChIInChI=1S/C7H5N5O4/c8-7-9-5-4(12(15)16)3(6(13)14)1-2-11(5)10-7/h1-2H,(H2,8,10)(H,13,14)
InChIKeyCSWVYKPMZSVADG-UHFFFAOYSA-N
XLogP-0.08
TPSA136.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 165494783) is 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is Nc1nc2c([N+](=O)[O-])c(C(=O)O)ccn2n1.
What is the InChIKey of 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is CSWVYKPMZSVADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O4/c8-7-9-5-4(12(15)16)3(6(13)14)1-2-11(5)10-7/h1-2H,(H2,8,10)(H,13,14).
What are the key properties of 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 223.15 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 165494783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).