6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile

C15H20N4O — CID 133420547

IUPAC6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOC3(CCCCCC3)C2)nn1
InChIInChI=1S/C15H20N4O/c16-11-13-5-6-14(18-17-13)19-9-10-20-15(12-19)7-3-1-2-4-8-15/h5-6H,1-4,7-10,12H2
InChIKeyYQGONWHCESUXLH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds1

About 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile

6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile (PubChem CID 133420547) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile
PubChem CID133420547
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCOC3(CCCCCC3)C2)nn1
InChIInChI=1S/C15H20N4O/c16-11-13-5-6-14(18-17-13)19-9-10-20-15(12-19)7-3-1-2-4-8-15/h5-6H,1-4,7-10,12H2
InChIKeyYQGONWHCESUXLH-UHFFFAOYSA-N
XLogP2.28
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridazine-3-carbonitrile
CID 175927128
6-(6-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
CID 121202344
5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid
CID 122057052
6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile
CID 167848964
8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 138996341
9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916042
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931
6-[8-(1-propylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]pyridazine-3-carbonitrile
CID 166434370
6-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]pyridine-2-carbonitrile
CID 131911644
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936

Frequently Asked Questions

What is the IUPAC name of 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile?
The IUPAC name of 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile (CID 133420547) is 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile is N#Cc1ccc(N2CCOC3(CCCCCC3)C2)nn1.
What is the InChIKey of 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile?
The InChIKey is YQGONWHCESUXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-11-13-5-6-14(18-17-13)19-9-10-20-15(12-19)7-3-1-2-4-8-15/h5-6H,1-4,7-10,12H2.
What are the key properties of 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile?
6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 133420547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).