[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone

C14H20N4O — CID 98894548

IUPAC[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone
SMILESCN(C)C1CC2(CCN(C(=O)c3ccnnc3)C2)C1
InChIInChI=1S/C14H20N4O/c1-17(2)12-7-14(8-12)4-6-18(10-14)13(19)11-3-5-15-16-9-11/h3,5,9,12H,4,6-8,10H2,1-2H3
InChIKeyNDHRIBZNCFYMOR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.03
Rot. Bonds2

About [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone

[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone (PubChem CID 98894548) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone
PubChem CID98894548
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone
SMILESCN(C)C1CC2(CCN(C(=O)c3ccnnc3)C2)C1
InChIInChI=1S/C14H20N4O/c1-17(2)12-7-14(8-12)4-6-18(10-14)13(19)11-3-5-15-16-9-11/h3,5,9,12H,4,6-8,10H2,1-2H3
InChIKeyNDHRIBZNCFYMOR-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450581
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97385043
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450643
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
[(2R,5R)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-pyridazin-4-ylmethanone
CID 97451964
N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070357
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
CID 118739245

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone (CID 98894548) is [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone is CN(C)C1CC2(CCN(C(=O)c3ccnnc3)C2)C1.
What is the InChIKey of [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone?
The InChIKey is NDHRIBZNCFYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)12-7-14(8-12)4-6-18(10-14)13(19)11-3-5-15-16-9-11/h3,5,9,12H,4,6-8,10H2,1-2H3.
What are the key properties of [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone?
[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 98894548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).