3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile

C11H14N4O — CID 80516532

IUPAC3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile
SMILESCNCC1CC(Oc2nnccc2C#N)C1
InChIInChI=1S/C11H14N4O/c1-13-7-8-4-10(5-8)16-11-9(6-12)2-3-14-15-11/h2-3,8,10,13H,4-5,7H2,1H3
InChIKeyASLMGNCZUJTLMY-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.73
Rot. Bonds4

About 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile

3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile (PubChem CID 80516532) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile
PubChem CID80516532
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile
SMILESCNCC1CC(Oc2nnccc2C#N)C1
InChIInChI=1S/C11H14N4O/c1-13-7-8-4-10(5-8)16-11-9(6-12)2-3-14-15-11/h2-3,8,10,13H,4-5,7H2,1H3
InChIKeyASLMGNCZUJTLMY-UHFFFAOYSA-N
XLogP0.73
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile (CID 80516532) is 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile is CNCC1CC(Oc2nnccc2C#N)C1.
What is the InChIKey of 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile?
The InChIKey is ASLMGNCZUJTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-13-7-8-4-10(5-8)16-11-9(6-12)2-3-14-15-11/h2-3,8,10,13H,4-5,7H2,1H3.
What are the key properties of 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile?
3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylaminomethyl)cyclobutyl]oxypyridazine-4-carbonitrile is sourced from PubChem (CID 80516532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).