5-amino-3-methyl-2H-indazole-6-carboxylic acid

C9H9N3O2 — CID 84719636

IUPAC5-amino-3-methyl-2H-indazole-6-carboxylic acid
SMILESCc1[nH]nc2cc(C(=O)O)c(N)cc12
InChIInChI=1S/C9H9N3O2/c1-4-5-2-7(10)6(9(13)14)3-8(5)12-11-4/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyXPCFSXFVQBTQNJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.15
Rot. Bonds1

About 5-amino-3-methyl-2H-indazole-6-carboxylic acid

5-amino-3-methyl-2H-indazole-6-carboxylic acid (PubChem CID 84719636) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-amino-3-methyl-2H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-methyl-2H-indazole-6-carboxylic acid
PubChem CID84719636
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-amino-3-methyl-2H-indazole-6-carboxylic acid
SMILESCc1[nH]nc2cc(C(=O)O)c(N)cc12
InChIInChI=1S/C9H9N3O2/c1-4-5-2-7(10)6(9(13)14)3-8(5)12-11-4/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyXPCFSXFVQBTQNJ-UHFFFAOYSA-N
XLogP1.15
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-methyl-2H-indazole-7-carboxylic acid
CID 96624785
6-bromo-3,5-dimethyl-2H-indazole;ethane
CID 178017805
5-chloro-3-iodo-2H-indazole-6-carboxylic acid
CID 123135196
5-amino-1,3-dimethylindazole-6-carboxylic acid
CID 84722038
(3-methyl-2H-indazol-6-yl) 2,2-dimethylpropanoate
CID 174621707
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116
methyl 3-methyl-2H-indazole-6-carboxylate
CID 22387979
2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
CID 59765588
6-bromo-5-methoxy-3-methyl-2H-indazole
CID 176567040
ethane;3-methyl-2H-indazol-6-ol
CID 144952867
6-amino-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 84724481
6-amino-1-ethylbenzimidazole-5-carboxylic acid
CID 84722042

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-2H-indazole-6-carboxylic acid?
The IUPAC name of 5-amino-3-methyl-2H-indazole-6-carboxylic acid (CID 84719636) is 5-amino-3-methyl-2H-indazole-6-carboxylic acid.
What is the SMILES notation for 5-amino-3-methyl-2H-indazole-6-carboxylic acid?
The canonical SMILES for 5-amino-3-methyl-2H-indazole-6-carboxylic acid is Cc1[nH]nc2cc(C(=O)O)c(N)cc12.
What is the InChIKey of 5-amino-3-methyl-2H-indazole-6-carboxylic acid?
The InChIKey is XPCFSXFVQBTQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-4-5-2-7(10)6(9(13)14)3-8(5)12-11-4/h2-3H,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-amino-3-methyl-2H-indazole-6-carboxylic acid?
5-amino-3-methyl-2H-indazole-6-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-2H-indazole-6-carboxylic acid is sourced from PubChem (CID 84719636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).