2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol

C15H18N2O — CID 134994756

IUPAC2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol
SMILESCC(C)(C)C(O)(c1ccccc1)c1ccnnc1
InChIInChI=1S/C15H18N2O/c1-14(2,3)15(18,12-7-5-4-6-8-12)13-9-10-16-17-11-13/h4-11,18H,1-3H3
InChIKeyJNLBARDJCBJTSH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.76
Rot. Bonds2

About 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol

2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol (PubChem CID 134994756) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol
PubChem CID134994756
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol
SMILESCC(C)(C)C(O)(c1ccccc1)c1ccnnc1
InChIInChI=1S/C15H18N2O/c1-14(2,3)15(18,12-7-5-4-6-8-12)13-9-10-16-17-11-13/h4-11,18H,1-3H3
InChIKeyJNLBARDJCBJTSH-UHFFFAOYSA-N
XLogP2.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol (CID 134994756) is 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol is CC(C)(C)C(O)(c1ccccc1)c1ccnnc1.
What is the InChIKey of 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol?
The InChIKey is JNLBARDJCBJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-14(2,3)15(18,12-7-5-4-6-8-12)13-9-10-16-17-11-13/h4-11,18H,1-3H3.
What are the key properties of 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol?
2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenyl-1-pyridazin-4-ylpropan-1-ol is sourced from PubChem (CID 134994756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).