3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole

C10H15IN2 — CID 71280134

IUPAC3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole
SMILESCn1nc(I)c2c1CCC(C)(C)C2
InChIInChI=1S/C10H15IN2/c1-10(2)5-4-8-7(6-10)9(11)12-13(8)3/h4-6H2,1-3H3
InChIKeyGXBGBHLZCXMVGK-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.54
Rot. Bonds

About 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole

3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole (PubChem CID 71280134) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole.

Molecular Properties

Compound Name3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole
PubChem CID71280134
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole
SMILESCn1nc(I)c2c1CCC(C)(C)C2
InChIInChI=1S/C10H15IN2/c1-10(2)5-4-8-7(6-10)9(11)12-13(8)3/h4-6H2,1-3H3
InChIKeyGXBGBHLZCXMVGK-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
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-1,5,5-trimethyl-6,7-dihydro-4H-indazole?
The IUPAC name of 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole (CID 71280134) is 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole.
What is the SMILES notation for 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole?
The canonical SMILES for 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole is Cn1nc(I)c2c1CCC(C)(C)C2.
What is the InChIKey of 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole?
The InChIKey is GXBGBHLZCXMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2/c1-10(2)5-4-8-7(6-10)9(11)12-13(8)3/h4-6H2,1-3H3.
What are the key properties of 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole?
3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole has a molecular weight of 290.15 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole is sourced from PubChem (CID 71280134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).