7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid

C9H13N3O2 — CID 83907785

IUPAC7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
SMILESCn1ncc2c1C(N)(C(=O)O)CCC2
InChIInChI=1S/C9H13N3O2/c1-12-7-6(5-11-12)3-2-4-9(7,10)8(13)14/h5H,2-4,10H2,1H3,(H,13,14)
InChIKeyIXUQOQCATGDQQE-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.00
Rot. Bonds1

About 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid

7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid (PubChem CID 83907785) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
PubChem CID83907785
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
SMILESCn1ncc2c1C(N)(C(=O)O)CCC2
InChIInChI=1S/C9H13N3O2/c1-12-7-6(5-11-12)3-2-4-9(7,10)8(13)14/h5H,2-4,10H2,1H3,(H,13,14)
InChIKeyIXUQOQCATGDQQE-UHFFFAOYSA-N
XLogP-0.00
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid?
The IUPAC name of 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid (CID 83907785) is 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid.
What is the SMILES notation for 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid?
The canonical SMILES for 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid is Cn1ncc2c1C(N)(C(=O)O)CCC2.
What is the InChIKey of 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid?
The InChIKey is IXUQOQCATGDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-7-6(5-11-12)3-2-4-9(7,10)8(13)14/h5H,2-4,10H2,1H3,(H,13,14).
What are the key properties of 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid?
7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid is sourced from PubChem (CID 83907785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).