6-iodo-N,1-dimethylindazol-3-amine

C9H10IN3 — CID 163664184

IUPAC6-iodo-N,1-dimethylindazol-3-amine
SMILESCNc1nn(C)c2cc(I)ccc12
InChIInChI=1S/C9H10IN3/c1-11-9-7-4-3-6(10)5-8(7)13(2)12-9/h3-5H,1-2H3,(H,11,12)
InChIKeyIWYRZIJETKCQEC-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.22
Rot. Bonds1

About 6-iodo-N,1-dimethylindazol-3-amine

6-iodo-N,1-dimethylindazol-3-amine (PubChem CID 163664184) has the molecular formula C9H10IN3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 6-iodo-N,1-dimethylindazol-3-amine.

Molecular Properties

Compound Name6-iodo-N,1-dimethylindazol-3-amine
PubChem CID163664184
Molecular FormulaC9H10IN3
Molecular Weight287.10 g/mol
Exact Mass286.99
IUPAC Name6-iodo-N,1-dimethylindazol-3-amine
SMILESCNc1nn(C)c2cc(I)ccc12
InChIInChI=1S/C9H10IN3/c1-11-9-7-4-3-6(10)5-8(7)13(2)12-9/h3-5H,1-2H3,(H,11,12)
InChIKeyIWYRZIJETKCQEC-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-N,1-dimethylindazol-3-amine?
The IUPAC name of 6-iodo-N,1-dimethylindazol-3-amine (CID 163664184) is 6-iodo-N,1-dimethylindazol-3-amine.
What is the SMILES notation for 6-iodo-N,1-dimethylindazol-3-amine?
The canonical SMILES for 6-iodo-N,1-dimethylindazol-3-amine is CNc1nn(C)c2cc(I)ccc12.
What is the InChIKey of 6-iodo-N,1-dimethylindazol-3-amine?
The InChIKey is IWYRZIJETKCQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3/c1-11-9-7-4-3-6(10)5-8(7)13(2)12-9/h3-5H,1-2H3,(H,11,12).
What are the key properties of 6-iodo-N,1-dimethylindazol-3-amine?
6-iodo-N,1-dimethylindazol-3-amine has a molecular weight of 287.10 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N,1-dimethylindazol-3-amine is sourced from PubChem (CID 163664184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).