7-amino-2-methyl-1H-indazol-3-one

C8H9N3O — CID 83805511

IUPAC7-amino-2-methyl-1H-indazol-3-one
SMILESCn1[nH]c2c(N)cccc2c1=O
InChIInChI=1S/C8H9N3O/c1-11-8(12)5-3-2-4-6(9)7(5)10-11/h2-4,10H,9H2,1H3
InChIKeyTZEGDZZVKCQNRB-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.45
Rot. Bonds

About 7-amino-2-methyl-1H-indazol-3-one

7-amino-2-methyl-1H-indazol-3-one (PubChem CID 83805511) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-amino-2-methyl-1H-indazol-3-one.

Molecular Properties

Compound Name7-amino-2-methyl-1H-indazol-3-one
PubChem CID83805511
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name7-amino-2-methyl-1H-indazol-3-one
SMILESCn1[nH]c2c(N)cccc2c1=O
InChIInChI=1S/C8H9N3O/c1-11-8(12)5-3-2-4-6(9)7(5)10-11/h2-4,10H,9H2,1H3
InChIKeyTZEGDZZVKCQNRB-UHFFFAOYSA-N
XLogP0.45
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-1H-indazol-3-one?
The IUPAC name of 7-amino-2-methyl-1H-indazol-3-one (CID 83805511) is 7-amino-2-methyl-1H-indazol-3-one.
What is the SMILES notation for 7-amino-2-methyl-1H-indazol-3-one?
The canonical SMILES for 7-amino-2-methyl-1H-indazol-3-one is Cn1[nH]c2c(N)cccc2c1=O.
What is the InChIKey of 7-amino-2-methyl-1H-indazol-3-one?
The InChIKey is TZEGDZZVKCQNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-8(12)5-3-2-4-6(9)7(5)10-11/h2-4,10H,9H2,1H3.
What are the key properties of 7-amino-2-methyl-1H-indazol-3-one?
7-amino-2-methyl-1H-indazol-3-one has a molecular weight of 163.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-1H-indazol-3-one is sourced from PubChem (CID 83805511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).