2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine

C8H14IN2- — CID 163829987

IUPAC2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine
SMILESC[I-]C1=NN(C)C(C)C(C)=C1
InChIInChI=1S/C8H14IN2/c1-6-5-8(9-3)10-11(4)7(6)2/h5,7H,1-4H3/q-1
InChIKeyZMWBQULNVDGEGO-UHFFFAOYSA-N
MW265.12 g/mol
LogP-1.70
Rot. Bonds1

About 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine

2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine (PubChem CID 163829987) has the molecular formula C8H14IN2- and a molecular weight of 265.12 g/mol. Its IUPAC name is 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine.

Molecular Properties

Compound Name2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine
PubChem CID163829987
Molecular FormulaC8H14IN2-
Molecular Weight265.12 g/mol
Exact Mass265.02
IUPAC Name2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine
SMILESC[I-]C1=NN(C)C(C)C(C)=C1
InChIInChI=1S/C8H14IN2/c1-6-5-8(9-3)10-11(4)7(6)2/h5,7H,1-4H3/q-1
InChIKeyZMWBQULNVDGEGO-UHFFFAOYSA-N
XLogP-1.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine?
The IUPAC name of 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine (CID 163829987) is 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine.
What is the SMILES notation for 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine?
The canonical SMILES for 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine is C[I-]C1=NN(C)C(C)C(C)=C1.
What is the InChIKey of 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine?
The InChIKey is ZMWBQULNVDGEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN2/c1-6-5-8(9-3)10-11(4)7(6)2/h5,7H,1-4H3/q-1.
What are the key properties of 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine?
2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine has a molecular weight of 265.12 g/mol, XLogP of -1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-6-methyliodanuidyl-3H-pyridazine is sourced from PubChem (CID 163829987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).