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

C8H12ClN3O3 — CID 44890008

IUPAC5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C8H11N3O3.ClH/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);1H
InChIKeyXDRMZTCDISTQEX-UHFFFAOYSA-N
MW233.65 g/mol
LogP-0.60
Rot. Bonds1

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

5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride (PubChem CID 44890008) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride
PubChem CID44890008
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C8H11N3O3.ClH/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);1H
InChIKeyXDRMZTCDISTQEX-UHFFFAOYSA-N
XLogP-0.60
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 5-0.60
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;hydrochloride?
The IUPAC name of 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride (CID 44890008) is 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is XDRMZTCDISTQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3.ClH/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);1H.
What are the key properties of 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride?
5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of -0.60, 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;hydrochloride is sourced from PubChem (CID 44890008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).