(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol

C15H23N3O — CID 134595736

IUPAC(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol
SMILESCC(C)(C)c1ccc(N2CC[C@H](O)C3(CC3)C2)nn1
InChIInChI=1S/C15H23N3O/c1-14(2,3)11-4-5-13(17-16-11)18-9-6-12(19)15(10-18)7-8-15/h4-5,12,19H,6-10H2,1-3H3/t12-/m0/s1
InChIKeyQNATWEFRWFDKJH-LBPRGKRZSA-N
MW261.37 g/mol
LogP2.13
Rot. Bonds1

About (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol

(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol (PubChem CID 134595736) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol.

Molecular Properties

Compound Name(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol
PubChem CID134595736
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol
SMILESCC(C)(C)c1ccc(N2CC[C@H](O)C3(CC3)C2)nn1
InChIInChI=1S/C15H23N3O/c1-14(2,3)11-4-5-13(17-16-11)18-9-6-12(19)15(10-18)7-8-15/h4-5,12,19H,6-10H2,1-3H3/t12-/m0/s1
InChIKeyQNATWEFRWFDKJH-LBPRGKRZSA-N
XLogP2.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
1-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603329
2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine
CID 134595633
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
6-(9-methyl-6-azaspiro[3.5]nonan-6-yl)pyridazine-3-carboxylic acid
CID 138002970
2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 134595600
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
CID 116972417
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 175648275

Frequently Asked Questions

What is the IUPAC name of (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol?
The IUPAC name of (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol (CID 134595736) is (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol.
What is the SMILES notation for (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol?
The canonical SMILES for (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol is CC(C)(C)c1ccc(N2CC[C@H](O)C3(CC3)C2)nn1.
What is the InChIKey of (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol?
The InChIKey is QNATWEFRWFDKJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O/c1-14(2,3)11-4-5-13(17-16-11)18-9-6-12(19)15(10-18)7-8-15/h4-5,12,19H,6-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol?
(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol has a molecular weight of 261.37 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol is sourced from PubChem (CID 134595736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).