3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile

C15H21N5 — CID 80515034

IUPAC3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC2CCNC3(CCC3)C2)c(C#N)c1C
InChIInChI=1S/C15H21N5/c1-10-11(2)19-20-14(13(10)9-16)18-12-4-7-17-15(8-12)5-3-6-15/h12,17H,3-8H2,1-2H3,(H,18,20)
InChIKeyZDIBQYPNCCXJNH-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.05
Rot. Bonds2

About 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile

3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 80515034) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID80515034
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC2CCNC3(CCC3)C2)c(C#N)c1C
InChIInChI=1S/C15H21N5/c1-10-11(2)19-20-14(13(10)9-16)18-12-4-7-17-15(8-12)5-3-6-15/h12,17H,3-8H2,1-2H3,(H,18,20)
InChIKeyZDIBQYPNCCXJNH-UHFFFAOYSA-N
XLogP2.05
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile (CID 80515034) is 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NC2CCNC3(CCC3)C2)c(C#N)c1C.
What is the InChIKey of 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is ZDIBQYPNCCXJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-11(2)19-20-14(13(10)9-16)18-12-4-7-17-15(8-12)5-3-6-15/h12,17H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 271.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80515034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).