5-iodo-7-methylimidazo[1,5-b]pyridazine

C7H6IN3 — CID 130115034

IUPAC5-iodo-7-methylimidazo[1,5-b]pyridazine
SMILESCc1nc(I)c2cccnn12
InChIInChI=1S/C7H6IN3/c1-5-10-7(8)6-3-2-4-9-11(5)6/h2-4H,1H3
InChIKeyMCACHPDGOADPAK-UHFFFAOYSA-N
MW259.05 g/mol
LogP1.64
Rot. Bonds

About 5-iodo-7-methylimidazo[1,5-b]pyridazine

5-iodo-7-methylimidazo[1,5-b]pyridazine (PubChem CID 130115034) has the molecular formula C7H6IN3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 5-iodo-7-methylimidazo[1,5-b]pyridazine.

Molecular Properties

Compound Name5-iodo-7-methylimidazo[1,5-b]pyridazine
PubChem CID130115034
Molecular FormulaC7H6IN3
Molecular Weight259.05 g/mol
Exact Mass258.96
IUPAC Name5-iodo-7-methylimidazo[1,5-b]pyridazine
SMILESCc1nc(I)c2cccnn12
InChIInChI=1S/C7H6IN3/c1-5-10-7(8)6-3-2-4-9-11(5)6/h2-4H,1H3
InChIKeyMCACHPDGOADPAK-UHFFFAOYSA-N
XLogP1.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid
CID 84673991
5-bromo-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
CID 82379830
2-methylimidazo[1,2-b]pyridazin-3-amine;hydrochloride
CID 122129766
7-bromo-6-methylpyrrolo[1,2-b]pyridazine
CID 139384495
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
8-methylpyrido[1,2-b]pyridazin-6-one
CID 102383380
4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine
CID 103293858
4-iodopyrrolo[2,1-f][1,2,4]triazine
CID 143866204
trimethyl-(2-methylbenzimidazol-1-yl)silane
CID 12646875
2-methyl-3-(4-methylpyrimidin-2-yl)imidazo[1,2-b]pyridazine
CID 158245477
ethane;2-methyl-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 167708330

Frequently Asked Questions

What is the IUPAC name of 5-iodo-7-methylimidazo[1,5-b]pyridazine?
The IUPAC name of 5-iodo-7-methylimidazo[1,5-b]pyridazine (CID 130115034) is 5-iodo-7-methylimidazo[1,5-b]pyridazine.
What is the SMILES notation for 5-iodo-7-methylimidazo[1,5-b]pyridazine?
The canonical SMILES for 5-iodo-7-methylimidazo[1,5-b]pyridazine is Cc1nc(I)c2cccnn12.
What is the InChIKey of 5-iodo-7-methylimidazo[1,5-b]pyridazine?
The InChIKey is MCACHPDGOADPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3/c1-5-10-7(8)6-3-2-4-9-11(5)6/h2-4H,1H3.
What are the key properties of 5-iodo-7-methylimidazo[1,5-b]pyridazine?
5-iodo-7-methylimidazo[1,5-b]pyridazine has a molecular weight of 259.05 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-7-methylimidazo[1,5-b]pyridazine is sourced from PubChem (CID 130115034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).