1,3-dimethylindazol-6-amine

C9H11N3 — CID 19354457

IUPAC1,3-dimethylindazol-6-amine
SMILESCc1nn(C)c2cc(N)ccc12
InChIInChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,10H2,1-2H3
InChIKeyVGABHBLCCIOEOZ-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.46
Rot. Bonds

About 1,3-dimethylindazol-6-amine

1,3-dimethylindazol-6-amine (PubChem CID 19354457) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1,3-dimethylindazol-6-amine.

Molecular Properties

Compound Name1,3-dimethylindazol-6-amine
PubChem CID19354457
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1,3-dimethylindazol-6-amine
SMILESCc1nn(C)c2cc(N)ccc12
InChIInChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,10H2,1-2H3
InChIKeyVGABHBLCCIOEOZ-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'}

Analyze 1,3-dimethylindazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylindazol-6-amine?
The IUPAC name of 1,3-dimethylindazol-6-amine (CID 19354457) is 1,3-dimethylindazol-6-amine.
What is the SMILES notation for 1,3-dimethylindazol-6-amine?
The canonical SMILES for 1,3-dimethylindazol-6-amine is Cc1nn(C)c2cc(N)ccc12.
What is the InChIKey of 1,3-dimethylindazol-6-amine?
The InChIKey is VGABHBLCCIOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)12(2)11-6/h3-5H,10H2,1-2H3.
What are the key properties of 1,3-dimethylindazol-6-amine?
1,3-dimethylindazol-6-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 1,3-dimethylindazol-6-amine is sourced from PubChem (CID 19354457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).