6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde

C10H10ClN3O — CID 144817336

IUPAC6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCC(C)c1cc(Cl)nn2cc(C=O)nc12
InChIInChI=1S/C10H10ClN3O/c1-6(2)8-3-9(11)13-14-4-7(5-15)12-10(8)14/h3-6H,1-2H3
InChIKeyQBKRMYOHCSRBNG-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.32
Rot. Bonds2

About 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde

6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (PubChem CID 144817336) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
PubChem CID144817336
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCC(C)c1cc(Cl)nn2cc(C=O)nc12
InChIInChI=1S/C10H10ClN3O/c1-6(2)8-3-9(11)13-14-4-7(5-15)12-10(8)14/h3-6H,1-2H3
InChIKeyQBKRMYOHCSRBNG-UHFFFAOYSA-N
XLogP2.32
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817267
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817790
6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817626
6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817164
6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;methyl 3-(3,3,4-trimethylpiperazine-1-carbonyl)cyclobutane-1-carboxylate
CID 144817552
6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1H-1,2,4-triazol-5-yl-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817831
6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1-(1H-imidazol-5-yl)-3,3,4-trimethylpiperazin-2-one
CID 144817526
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332
6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817670
8-chloro-6-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 91927377
2-ethoxy-1-methylimidazole-4-carbaldehyde
CID 146287739
8-bromoimidazo[1,2-c]pyrimidine-2-carbaldehyde
CID 84690292

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The IUPAC name of 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (CID 144817336) is 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The canonical SMILES for 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is CC(C)c1cc(Cl)nn2cc(C=O)nc12.
What is the InChIKey of 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The InChIKey is QBKRMYOHCSRBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6(2)8-3-9(11)13-14-4-7(5-15)12-10(8)14/h3-6H,1-2H3.
What are the key properties of 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde has a molecular weight of 223.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is sourced from PubChem (CID 144817336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).