5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid

C8H11N3O3 — CID 3367446

IUPAC5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C8H11N3O3/c9-8(7(13)14)2-1-5-4(3-8)6(12)11-10-5/h1-3,9H2,(H,13,14)(H2,10,11,12)
InChIKeyASZFGDUKSVIZTP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.03
Rot. Bonds1

About 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid

5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid (PubChem CID 3367446) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid
PubChem CID3367446
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C8H11N3O3/c9-8(7(13)14)2-1-5-4(3-8)6(12)11-10-5/h1-3,9H2,(H,13,14)(H2,10,11,12)
InChIKeyASZFGDUKSVIZTP-UHFFFAOYSA-N
XLogP-1.03
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The IUPAC name of 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid (CID 3367446) is 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The canonical SMILES for 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid is NC1(C(=O)O)CCc2[nH][nH]c(=O)c2C1.
What is the InChIKey of 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The InChIKey is ASZFGDUKSVIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-8(7(13)14)2-1-5-4(3-8)6(12)11-10-5/h1-3,9H2,(H,13,14)(H2,10,11,12).
What are the key properties of 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -1.03, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 3367446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).