4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine

C6H3Cl2IN4 — CID 146433847

IUPAC4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine
SMILESCc1nn(I)c2c(Cl)nnc(Cl)c12
InChIInChI=1S/C6H3Cl2IN4/c1-2-3-4(13(9)12-2)6(8)11-10-5(3)7/h1H3
InChIKeyGKZDMBBUZMSSAY-UHFFFAOYSA-N
MW328.93 g/mol
LogP2.64
Rot. Bonds

About 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine

4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine (PubChem CID 146433847) has the molecular formula C6H3Cl2IN4 and a molecular weight of 328.93 g/mol. Its IUPAC name is 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine
PubChem CID146433847
Molecular FormulaC6H3Cl2IN4
Molecular Weight328.93 g/mol
Exact Mass327.88
IUPAC Name4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine
SMILESCc1nn(I)c2c(Cl)nnc(Cl)c12
InChIInChI=1S/C6H3Cl2IN4/c1-2-3-4(13(9)12-2)6(8)11-10-5(3)7/h1H3
InChIKeyGKZDMBBUZMSSAY-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.93
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-5,6,7,8-tetrafluorophthalazine
CID 166067248
6-chloro-N,4,5-trimethylpyridazin-3-amine
CID 63271800
4-chloro-1-iodo-5-methylpyrazol-3-amine
CID 70974319
4-chloro-1,6-dimethylpyrido[3,4-d]pyridazin-5-one
CID 169259002
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 13125572
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
1-chloro-3-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)anilino]propan-2-ol
CID 168639799
1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine
CID 86752616
6-chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 602696
4-chloro-3-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridine
CID 145383752
(6-chloro-4,5-dimethylpyridazin-3-yl)methanol
CID 162520191
5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135823739

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine?
The IUPAC name of 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine (CID 146433847) is 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine.
What is the SMILES notation for 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine?
The canonical SMILES for 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine is Cc1nn(I)c2c(Cl)nnc(Cl)c12.
What is the InChIKey of 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine?
The InChIKey is GKZDMBBUZMSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2IN4/c1-2-3-4(13(9)12-2)6(8)11-10-5(3)7/h1H3.
What are the key properties of 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine?
4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine has a molecular weight of 328.93 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-iodo-3-methylpyrazolo[4,5-d]pyridazine is sourced from PubChem (CID 146433847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).