6-amino-3-methyl-2H-indazole-7-carboxylic acid

C9H9N3O2 — CID 96624785

IUPAC6-amino-3-methyl-2H-indazole-7-carboxylic acid
SMILESCc1[nH]nc2c(C(=O)O)c(N)ccc12
InChIInChI=1S/C9H9N3O2/c1-4-5-2-3-6(10)7(9(13)14)8(5)12-11-4/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyRUOYAXGHOSTIKF-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.15
Rot. Bonds1

About 6-amino-3-methyl-2H-indazole-7-carboxylic acid

6-amino-3-methyl-2H-indazole-7-carboxylic acid (PubChem CID 96624785) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-amino-3-methyl-2H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-methyl-2H-indazole-7-carboxylic acid
PubChem CID96624785
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-amino-3-methyl-2H-indazole-7-carboxylic acid
SMILESCc1[nH]nc2c(C(=O)O)c(N)ccc12
InChIInChI=1S/C9H9N3O2/c1-4-5-2-3-6(10)7(9(13)14)8(5)12-11-4/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyRUOYAXGHOSTIKF-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

7-fluoro-3,6-dimethyl-2H-indazole
CID 167575971
5-amino-3-methyl-2H-indazole-6-carboxylic acid
CID 84719636
3-(furan-2-yl)-6-methyl-2H-indazole-7-carboxylic acid
CID 142079459
(3,7-dimethyl-2H-indazol-6-yl)methanamine
CID 117109635
6-amino-3-bromo-2-methylbenzoic acid
CID 15885809
6-amino-2-oxo-1H-quinoline-5-carboxylic acid
CID 63240224
3,7-dimethyl-2H-indazole;propane
CID 143828593
3-methyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 130251567
7-methoxy-3-methyl-2H-indazole-5-carboxylic acid
CID 66920545
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 83532093
2,6-diaminonaphthalene-1-carboxylic acid
CID 45089629
5-bromo-3-methyl-2H-indazol-7-amine
CID 84690319

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-2H-indazole-7-carboxylic acid?
The IUPAC name of 6-amino-3-methyl-2H-indazole-7-carboxylic acid (CID 96624785) is 6-amino-3-methyl-2H-indazole-7-carboxylic acid.
What is the SMILES notation for 6-amino-3-methyl-2H-indazole-7-carboxylic acid?
The canonical SMILES for 6-amino-3-methyl-2H-indazole-7-carboxylic acid is Cc1[nH]nc2c(C(=O)O)c(N)ccc12.
What is the InChIKey of 6-amino-3-methyl-2H-indazole-7-carboxylic acid?
The InChIKey is RUOYAXGHOSTIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-4-5-2-3-6(10)7(9(13)14)8(5)12-11-4/h2-3H,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 6-amino-3-methyl-2H-indazole-7-carboxylic acid?
6-amino-3-methyl-2H-indazole-7-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 6-amino-3-methyl-2H-indazole-7-carboxylic acid is sourced from PubChem (CID 96624785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).