N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine

C14H18ClN5O — CID 72709934

IUPACN-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
SMILESClc1ccc(NC2=NCCC3(CN4CCC3CC4)O2)nn1
InChIInChI=1S/C14H18ClN5O/c15-11-1-2-12(19-18-11)17-13-16-6-5-14(21-13)9-20-7-3-10(14)4-8-20/h1-2,10H,3-9H2,(H,16,17,19)
InChIKeyYKHULEUAEMZKKB-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.78
Rot. Bonds1

About N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine

N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine (PubChem CID 72709934) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
PubChem CID72709934
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC NameN-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
SMILESClc1ccc(NC2=NCCC3(CN4CCC3CC4)O2)nn1
InChIInChI=1S/C14H18ClN5O/c15-11-1-2-12(19-18-11)17-13-16-6-5-14(21-13)9-20-7-3-10(14)4-8-20/h1-2,10H,3-9H2,(H,16,17,19)
InChIKeyYKHULEUAEMZKKB-UHFFFAOYSA-N
XLogP1.78
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
CID 123764481
(3R)-N-(6-chloro-1-methylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 59286586
(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 59286675
(3R)-N-(5-phenyl-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088139
(3R)-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088141
(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 134145411
(3R,4S)-N-pyrrolo[2,1-f][1,2,4]triazin-4-ylspiro[1-azabicyclo[2.2.1]heptane-3,5'-4H-1,3-oxazole]-2'-amine
CID 52934900
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
CID 121320364
6-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 60856462
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine
CID 90014427

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
The IUPAC name of N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine (CID 72709934) is N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
The canonical SMILES for N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine is Clc1ccc(NC2=NCCC3(CN4CCC3CC4)O2)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
The InChIKey is YKHULEUAEMZKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c15-11-1-2-12(19-18-11)17-13-16-6-5-14(21-13)9-20-7-3-10(14)4-8-20/h1-2,10H,3-9H2,(H,16,17,19).
What are the key properties of N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine has a molecular weight of 307.79 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine is sourced from PubChem (CID 72709934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).