cycloheptyl-(6-methoxypyridazin-3-yl)methanol

C13H20N2O2 — CID 103373411

IUPACcycloheptyl-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCCCCC2)nn1
InChIInChI=1S/C13H20N2O2/c1-17-12-9-8-11(14-15-12)13(16)10-6-4-2-3-5-7-10/h8-10,13,16H,2-7H2,1H3
InChIKeyKOUJBPRARWPRSI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.49
Rot. Bonds3

About cycloheptyl-(6-methoxypyridazin-3-yl)methanol

cycloheptyl-(6-methoxypyridazin-3-yl)methanol (PubChem CID 103373411) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is cycloheptyl-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Namecycloheptyl-(6-methoxypyridazin-3-yl)methanol
PubChem CID103373411
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namecycloheptyl-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCCCCC2)nn1
InChIInChI=1S/C13H20N2O2/c1-17-12-9-8-11(14-15-12)13(16)10-6-4-2-3-5-7-10/h8-10,13,16H,2-7H2,1H3
InChIKeyKOUJBPRARWPRSI-UHFFFAOYSA-N
XLogP2.49
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Methoxypyridazin-3-yl)methanol
CID 13227305
[3-(6-Methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
[6-(Propan-2-yloxy)pyridazin-3-yl]methanol hydrochloride
CID 137944356
(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
[6-(Difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
CID 123305103
1-[6-(Difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol
CID 164798695
1-(6-Methoxypyridazin-3-yl)hexan-1-ol
CID 15889675
(6-Isopropoxypyridazin-3-yl)methanol
CID 61256127
2-(2,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373403
2-(4-Chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373422
2-(3,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373423
(5-Bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373427

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of cycloheptyl-(6-methoxypyridazin-3-yl)methanol (CID 103373411) is cycloheptyl-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for cycloheptyl-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for cycloheptyl-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)C2CCCCCC2)nn1.
What is the InChIKey of cycloheptyl-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is KOUJBPRARWPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-12-9-8-11(14-15-12)13(16)10-6-4-2-3-5-7-10/h8-10,13,16H,2-7H2,1H3.
What are the key properties of cycloheptyl-(6-methoxypyridazin-3-yl)methanol?
cycloheptyl-(6-methoxypyridazin-3-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 103373411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).