1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol

C10H12ClIN4O — CID 86705347

IUPAC1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(Cl)nn2c(I)cnc12
InChIInChI=1S/C10H12ClIN4O/c1-10(2,17)5-14-6-3-7(11)15-16-8(12)4-13-9(6)16/h3-4,14,17H,5H2,1-2H3
InChIKeyOJUAZAZYZJBJBT-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.17
Rot. Bonds3

About 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol

1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol (PubChem CID 86705347) has the molecular formula C10H12ClIN4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol
PubChem CID86705347
Molecular FormulaC10H12ClIN4O
Molecular Weight366.59 g/mol
Exact Mass365.97
IUPAC Name1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(Cl)nn2c(I)cnc12
InChIInChI=1S/C10H12ClIN4O/c1-10(2,17)5-14-6-3-7(11)15-16-8(12)4-13-9(6)16/h3-4,14,17H,5H2,1-2H3
InChIKeyOJUAZAZYZJBJBT-UHFFFAOYSA-N
XLogP2.17
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-6-chloroimidazo[1,2-b]pyridazin-8-amine
CID 132261433
6-Chloro-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 168444628
6-chloro-3-isocyano-N-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-8-amine
CID 59313847
6-chloro-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 87110486
3-[(6-Chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 87111518
(2S)-3-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 87111519
6-chloro-3-iodo-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
CID 88585476
7-chloro-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 123311536
6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 123437595
6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
CID 123765403
3-[(6-Chloro-3-methylimidazo[1,2-b]pyridazin-8-yl)amino]-1,1,1-trifluoropropan-2-ol;ethane
CID 144342316
6-chloro-3-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;ethane
CID 144342468

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol (CID 86705347) is 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1cc(Cl)nn2c(I)cnc12.
What is the InChIKey of 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol?
The InChIKey is OJUAZAZYZJBJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN4O/c1-10(2,17)5-14-6-3-7(11)15-16-8(12)4-13-9(6)16/h3-4,14,17H,5H2,1-2H3.
What are the key properties of 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol?
1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol has a molecular weight of 366.59 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-iodoimidazo[1,2-b]pyridazin-8-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 86705347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).