3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol

C13H20N2O — CID 22014330

IUPAC3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol
SMILESOC(CCC1CCCCC1)c1ccnnc1
InChIInChI=1S/C13H20N2O/c16-13(12-8-9-14-15-10-12)7-6-11-4-2-1-3-5-11/h8-11,13,16H,1-7H2
InChIKeyNKLQIRZSBLUOBM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.87
Rot. Bonds4

About 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol

3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol (PubChem CID 22014330) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol
PubChem CID22014330
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol
SMILESOC(CCC1CCCCC1)c1ccnnc1
InChIInChI=1S/C13H20N2O/c16-13(12-8-9-14-15-10-12)7-6-11-4-2-1-3-5-11/h8-11,13,16H,1-7H2
InChIKeyNKLQIRZSBLUOBM-UHFFFAOYSA-N
XLogP2.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol?
The IUPAC name of 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol (CID 22014330) is 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol is OC(CCC1CCCCC1)c1ccnnc1.
What is the InChIKey of 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol?
The InChIKey is NKLQIRZSBLUOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13(12-8-9-14-15-10-12)7-6-11-4-2-1-3-5-11/h8-11,13,16H,1-7H2.
What are the key properties of 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol?
3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-pyridazin-4-ylpropan-1-ol is sourced from PubChem (CID 22014330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).