6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile

C14H18N4O — CID 133421174

IUPAC6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H18N4O/c15-10-12-3-4-13(18-17-12)16-11-5-8-19-14(9-11)6-1-2-7-14/h3-4,11H,1-2,5-9H2,(H,16,18)
InChIKeyBMLJNJNONODFAJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds2

About 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile

6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile (PubChem CID 133421174) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
PubChem CID133421174
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H18N4O/c15-10-12-3-4-13(18-17-12)16-11-5-8-19-14(9-11)6-1-2-7-14/h3-4,11H,1-2,5-9H2,(H,16,18)
InChIKeyBMLJNJNONODFAJ-UHFFFAOYSA-N
XLogP2.25
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
CID 84589069
6-(cyclopentylamino)pyridazine-3-carbonitrile
CID 126988363
6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 71847338
6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
CID 98559250
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
3,5-difluoro-4-(1-oxaspiro[5.5]undecan-4-ylamino)benzonitrile
CID 133377939
6-nitro-2-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-4-carbonitrile
CID 133377952
6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile
CID 133418862
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile
CID 133378036
6-[(4-propan-2-ylcycloheptyl)amino]pyridazine-3-carbonitrile
CID 133479838

Frequently Asked Questions

What is the IUPAC name of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile (CID 133421174) is 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile is N#Cc1ccc(NC2CCOC3(CCCC3)C2)nn1.
What is the InChIKey of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile?
The InChIKey is BMLJNJNONODFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-12-3-4-13(18-17-12)16-11-5-8-19-14(9-11)6-1-2-7-14/h3-4,11H,1-2,5-9H2,(H,16,18).
What are the key properties of 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile?
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile is sourced from PubChem (CID 133421174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).