4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine

C10H15IN2 — CID 176739019

IUPAC4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine
SMILESCC(c1cnncc1I)C(C)(C)C
InChIInChI=1S/C10H15IN2/c1-7(10(2,3)4)8-5-12-13-6-9(8)11/h5-7H,1-4H3
InChIKeySAQFTSYUCHGBAZ-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.23
Rot. Bonds1

About 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine

4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine (PubChem CID 176739019) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine
PubChem CID176739019
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine
SMILESCC(c1cnncc1I)C(C)(C)C
InChIInChI=1S/C10H15IN2/c1-7(10(2,3)4)8-5-12-13-6-9(8)11/h5-7H,1-4H3
InChIKeySAQFTSYUCHGBAZ-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.23
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 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine?
The IUPAC name of 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine (CID 176739019) is 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine is CC(c1cnncc1I)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine?
The InChIKey is SAQFTSYUCHGBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2/c1-7(10(2,3)4)8-5-12-13-6-9(8)11/h5-7H,1-4H3.
What are the key properties of 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine?
4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine has a molecular weight of 290.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yl)-5-iodopyridazine is sourced from PubChem (CID 176739019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).