5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile

C15H20N4O2 — CID 102930669

IUPAC5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OC2COC3(CCNCC3)C2)c(C#N)c1C
InChIInChI=1S/C15H20N4O2/c1-10-11(2)18-19-14(13(10)8-16)21-12-7-15(20-9-12)3-5-17-6-4-15/h12,17H,3-7,9H2,1-2H3
InChIKeyPWFAJVOFNBHMCC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.26
Rot. Bonds2

About 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile

5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile (PubChem CID 102930669) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
PubChem CID102930669
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OC2COC3(CCNCC3)C2)c(C#N)c1C
InChIInChI=1S/C15H20N4O2/c1-10-11(2)18-19-14(13(10)8-16)21-12-7-15(20-9-12)3-5-17-6-4-15/h12,17H,3-7,9H2,1-2H3
InChIKeyPWFAJVOFNBHMCC-UHFFFAOYSA-N
XLogP1.26
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930455
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930435
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
3-(1-methyltetrazol-5-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930419
3-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
CID 102930597
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
2-bromo-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)benzonitrile
CID 107281588
3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 102930556
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930090
5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile
CID 61098040
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carboxamide
CID 102930554

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile (CID 102930669) is 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile is Cc1nnc(OC2COC3(CCNCC3)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile?
The InChIKey is PWFAJVOFNBHMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-11(2)18-19-14(13(10)8-16)21-12-7-15(20-9-12)3-5-17-6-4-15/h12,17H,3-7,9H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 102930669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).