3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine

C7H10IN3 — CID 155973791

IUPAC3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine
SMILESNC1CCCc2c(I)n[nH]c21
InChIInChI=1S/C7H10IN3/c8-7-4-2-1-3-5(9)6(4)10-11-7/h5H,1-3,9H2,(H,10,11)
InChIKeyYXYIFUOYRJXBSZ-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.35
Rot. Bonds

About 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine

3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine (PubChem CID 155973791) has the molecular formula C7H10IN3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine.

Molecular Properties

Compound Name3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine
PubChem CID155973791
Molecular FormulaC7H10IN3
Molecular Weight263.08 g/mol
Exact Mass262.99
IUPAC Name3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine
SMILESNC1CCCc2c(I)n[nH]c21
InChIInChI=1S/C7H10IN3/c8-7-4-2-1-3-5(9)6(4)10-11-7/h5H,1-3,9H2,(H,10,11)
InChIKeyYXYIFUOYRJXBSZ-UHFFFAOYSA-N
XLogP1.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The IUPAC name of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine (CID 155973791) is 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine.
What is the SMILES notation for 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The canonical SMILES for 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine is NC1CCCc2c(I)n[nH]c21.
What is the InChIKey of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The InChIKey is YXYIFUOYRJXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3/c8-7-4-2-1-3-5(9)6(4)10-11-7/h5H,1-3,9H2,(H,10,11).
What are the key properties of 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine?
3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine has a molecular weight of 263.08 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine is sourced from PubChem (CID 155973791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).