2,3-dimethylindazol-4-amine

C9H11N3 — CID 84716789

IUPAC2,3-dimethylindazol-4-amine
SMILESCc1c2c(N)cccc2nn1C
InChIInChI=1S/C9H11N3/c1-6-9-7(10)4-3-5-8(9)11-12(6)2/h3-5H,10H2,1-2H3
InChIKeyUSFDCAKXLJVBMD-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.46
Rot. Bonds

About 2,3-dimethylindazol-4-amine

2,3-dimethylindazol-4-amine (PubChem CID 84716789) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2,3-dimethylindazol-4-amine.

Molecular Properties

Compound Name2,3-dimethylindazol-4-amine
PubChem CID84716789
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2,3-dimethylindazol-4-amine
SMILESCc1c2c(N)cccc2nn1C
InChIInChI=1S/C9H11N3/c1-6-9-7(10)4-3-5-8(9)11-12(6)2/h3-5H,10H2,1-2H3
InChIKeyUSFDCAKXLJVBMD-UHFFFAOYSA-N
XLogP1.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylindazol-4-amine?
The IUPAC name of 2,3-dimethylindazol-4-amine (CID 84716789) is 2,3-dimethylindazol-4-amine.
What is the SMILES notation for 2,3-dimethylindazol-4-amine?
The canonical SMILES for 2,3-dimethylindazol-4-amine is Cc1c2c(N)cccc2nn1C.
What is the InChIKey of 2,3-dimethylindazol-4-amine?
The InChIKey is USFDCAKXLJVBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-9-7(10)4-3-5-8(9)11-12(6)2/h3-5H,10H2,1-2H3.
What are the key properties of 2,3-dimethylindazol-4-amine?
2,3-dimethylindazol-4-amine has a molecular weight of 161.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylindazol-4-amine is sourced from PubChem (CID 84716789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).