6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C7H7IN4 — CID 134516677

IUPAC6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(I)nn2c(C)nnc12
InChIInChI=1S/C7H7IN4/c1-4-3-6(8)11-12-5(2)9-10-7(4)12/h3H,1-2H3
InChIKeyMFUHQZJENBVOSB-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.35
Rot. Bonds

About 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134516677) has the molecular formula C7H7IN4 and a molecular weight of 274.07 g/mol. Its IUPAC name is 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134516677
Molecular FormulaC7H7IN4
Molecular Weight274.07 g/mol
Exact Mass273.97
IUPAC Name6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(I)nn2c(C)nnc12
InChIInChI=1S/C7H7IN4/c1-4-3-6(8)11-12-5(2)9-10-7(4)12/h3H,1-2H3
InChIKeyMFUHQZJENBVOSB-UHFFFAOYSA-N
XLogP1.35
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 134516677) is 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(I)nn2c(C)nnc12.
What is the InChIKey of 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MFUHQZJENBVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN4/c1-4-3-6(8)11-12-5(2)9-10-7(4)12/h3H,1-2H3.
What are the key properties of 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 274.07 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134516677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).