(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C17H26N2O2 — CID 105116217

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCCc1nnc(C)cc1C(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H26N2O2/c1-3-15-14(10-12(2)18-19-15)16(20)13-6-9-21-17(11-13)7-4-5-8-17/h10,13,16,20H,3-9,11H2,1-2H3
InChIKeyWPPNOPYEDQKXIO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.12
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 105116217) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID105116217
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCCc1nnc(C)cc1C(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H26N2O2/c1-3-15-14(10-12(2)18-19-15)16(20)13-6-9-21-17(11-13)7-4-5-8-17/h10,13,16,20H,3-9,11H2,1-2H3
InChIKeyWPPNOPYEDQKXIO-UHFFFAOYSA-N
XLogP3.12
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105102866
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112753
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116233
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 105116217) is (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is CCc1nnc(C)cc1C(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is WPPNOPYEDQKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-15-14(10-12(2)18-19-15)16(20)13-6-9-21-17(11-13)7-4-5-8-17/h10,13,16,20H,3-9,11H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 290.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 105116217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).