5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid

C13H17N3O3 — CID 151930847

IUPAC5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
SMILESCC(C)(O)CCn1cc2cc(N)c(C(=O)O)cc2n1
InChIInChI=1S/C13H17N3O3/c1-13(2,19)3-4-16-7-8-5-10(14)9(12(17)18)6-11(8)15-16/h5-7,19H,3-4,14H2,1-2H3,(H,17,18)
InChIKeySYTGTTWUIVWFAK-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.48
Rot. Bonds4

About 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid

5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid (PubChem CID 151930847) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
PubChem CID151930847
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
SMILESCC(C)(O)CCn1cc2cc(N)c(C(=O)O)cc2n1
InChIInChI=1S/C13H17N3O3/c1-13(2,19)3-4-16-7-8-5-10(14)9(12(17)18)6-11(8)15-16/h5-7,19H,3-4,14H2,1-2H3,(H,17,18)
InChIKeySYTGTTWUIVWFAK-UHFFFAOYSA-N
XLogP1.48
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
The IUPAC name of 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid (CID 151930847) is 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid is CC(C)(O)CCn1cc2cc(N)c(C(=O)O)cc2n1.
What is the InChIKey of 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
The InChIKey is SYTGTTWUIVWFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,19)3-4-16-7-8-5-10(14)9(12(17)18)6-11(8)15-16/h5-7,19H,3-4,14H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid?
5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid is sourced from PubChem (CID 151930847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).