3-amino-1H-indazole-5-carboxylic acid;hydrochloride

C8H8ClN3O2 — CID 118472627

IUPAC3-amino-1H-indazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C8H7N3O2.ClH/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7;/h1-3H,(H,12,13)(H3,9,10,11);1H
InChIKeyCQQOMCFQJXXLAH-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.27
Rot. Bonds1

About 3-amino-1H-indazole-5-carboxylic acid;hydrochloride

3-amino-1H-indazole-5-carboxylic acid;hydrochloride (PubChem CID 118472627) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 3-amino-1H-indazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-1H-indazole-5-carboxylic acid;hydrochloride
PubChem CID118472627
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name3-amino-1H-indazole-5-carboxylic acid;hydrochloride
SMILESCl.Nc1n[nH]c2ccc(C(=O)O)cc12
InChIInChI=1S/C8H7N3O2.ClH/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7;/h1-3H,(H,12,13)(H3,9,10,11);1H
InChIKeyCQQOMCFQJXXLAH-UHFFFAOYSA-N
XLogP1.27
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-indazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-1H-indazole-5-carboxylic acid;hydrochloride (CID 118472627) is 3-amino-1H-indazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-1H-indazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-1H-indazole-5-carboxylic acid;hydrochloride is Cl.Nc1n[nH]c2ccc(C(=O)O)cc12.
What is the InChIKey of 3-amino-1H-indazole-5-carboxylic acid;hydrochloride?
The InChIKey is CQQOMCFQJXXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7;/h1-3H,(H,12,13)(H3,9,10,11);1H.
What are the key properties of 3-amino-1H-indazole-5-carboxylic acid;hydrochloride?
3-amino-1H-indazole-5-carboxylic acid;hydrochloride has a molecular weight of 213.62 g/mol, XLogP of 1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-indazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 118472627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).