1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol

C12H16N4O — CID 90953091

IUPAC1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol
SMILESOC1(Nc2ccc3nccn3n2)CCCCC1
InChIInChI=1S/C12H16N4O/c17-12(6-2-1-3-7-12)14-10-4-5-11-13-8-9-16(11)15-10/h4-5,8-9,17H,1-3,6-7H2,(H,14,15)
InChIKeyRHSYZQIRSNORFR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.79
Rot. Bonds2

About 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol

1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol (PubChem CID 90953091) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol
PubChem CID90953091
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol
SMILESOC1(Nc2ccc3nccn3n2)CCCCC1
InChIInChI=1S/C12H16N4O/c17-12(6-2-1-3-7-12)14-10-4-5-11-13-8-9-16(11)15-10/h4-5,8-9,17H,1-3,6-7H2,(H,14,15)
InChIKeyRHSYZQIRSNORFR-UHFFFAOYSA-N
XLogP1.79
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol?
The IUPAC name of 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol (CID 90953091) is 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol is OC1(Nc2ccc3nccn3n2)CCCCC1.
What is the InChIKey of 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol?
The InChIKey is RHSYZQIRSNORFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(6-2-1-3-7-12)14-10-4-5-11-13-8-9-16(11)15-10/h4-5,8-9,17H,1-3,6-7H2,(H,14,15).
What are the key properties of 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol?
1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 90953091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).