7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine

C9H11IN4 — CID 163971883

IUPAC7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine
SMILESCCc1c(C)nnc2c(I)nn(C)c12
InChIInChI=1S/C9H11IN4/c1-4-6-5(2)11-12-7-8(6)14(3)13-9(7)10/h4H2,1-3H3
InChIKeySQRQUCDQJPJUMX-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.84
Rot. Bonds1

About 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine

7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine (PubChem CID 163971883) has the molecular formula C9H11IN4 and a molecular weight of 302.12 g/mol. Its IUPAC name is 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine
PubChem CID163971883
Molecular FormulaC9H11IN4
Molecular Weight302.12 g/mol
Exact Mass302.00
IUPAC Name7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine
SMILESCCc1c(C)nnc2c(I)nn(C)c12
InChIInChI=1S/C9H11IN4/c1-4-6-5(2)11-12-7-8(6)14(3)13-9(7)10/h4H2,1-3H3
InChIKeySQRQUCDQJPJUMX-UHFFFAOYSA-N
XLogP1.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.84
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 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine?
The IUPAC name of 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine (CID 163971883) is 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine.
What is the SMILES notation for 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine?
The canonical SMILES for 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine is CCc1c(C)nnc2c(I)nn(C)c12.
What is the InChIKey of 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine?
The InChIKey is SQRQUCDQJPJUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4/c1-4-6-5(2)11-12-7-8(6)14(3)13-9(7)10/h4H2,1-3H3.
What are the key properties of 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine?
7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine has a molecular weight of 302.12 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-iodo-1,6-dimethylpyrazolo[4,5-c]pyridazine is sourced from PubChem (CID 163971883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).