1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol

C14H14N6O — CID 153277558

IUPAC1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
SMILES[C-]#[N+]c1cnc2ccc(-c3cncn3CC(C)(C)O)nn12
InChIInChI=1S/C14H14N6O/c1-14(2,21)8-19-9-16-6-11(19)10-4-5-12-17-7-13(15-3)20(12)18-10/h4-7,9,21H,8H2,1-2H3
InChIKeyZARBBUUXAMOYIE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.91
Rot. Bonds3

About 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol

1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol (PubChem CID 153277558) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
PubChem CID153277558
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
SMILES[C-]#[N+]c1cnc2ccc(-c3cncn3CC(C)(C)O)nn12
InChIInChI=1S/C14H14N6O/c1-14(2,21)8-19-9-16-6-11(19)10-4-5-12-17-7-13(15-3)20(12)18-10/h4-7,9,21H,8H2,1-2H3
InChIKeyZARBBUUXAMOYIE-UHFFFAOYSA-N
XLogP1.91
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(5-bromo-3-propan-2-ylimidazol-4-yl)-3-isocyanoimidazo[1,2-b]pyridazine
CID 153277543
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 140737298
2-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]ethanol
CID 140737385
1-[4-(3-chloro-4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]propan-2-ol
CID 147376187
6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510433
6-[5-(3-chloro-4-fluorophenyl)-3-(3-methylbutyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-b]pyridazine
CID 140737275
2-chloro-4-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrimidine
CID 118953813
2-(3-ethylimidazol-4-yl)propan-2-ol
CID 89334361
3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
CID 14868323
2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol
CID 178079413
3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 146316103
2-imidazo[1,2-a]pyrazin-3-ylpropan-2-ol
CID 84656002

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol (CID 153277558) is 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol is [C-]#[N+]c1cnc2ccc(-c3cncn3CC(C)(C)O)nn12.
What is the InChIKey of 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is ZARBBUUXAMOYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-14(2,21)8-19-9-16-6-11(19)10-4-5-12-17-7-13(15-3)20(12)18-10/h4-7,9,21H,8H2,1-2H3.
What are the key properties of 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 282.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 153277558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).