N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine

C17H22N4O2 — CID 658768

IUPACN,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine
SMILESCCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)10-11-22-16-12-14-17(19-18-16)23-15-9-7-6-8-13(15)20(14)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySQQOKMXKQMFOGJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds6

About N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine

N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine (PubChem CID 658768) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine
PubChem CID658768
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine
SMILESCCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)10-11-22-16-12-14-17(19-18-16)23-15-9-7-6-8-13(15)20(14)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySQQOKMXKQMFOGJ-UHFFFAOYSA-N
XLogP3.07
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pipofezine
CID 159977
2-Chloro-10-methyl-3,4-diazaphenoxazine
CID 2832033
3-(4-Ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine
CID 2832013
N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;hydrate;hydrochloride
CID 6602757
5H-Pyridazino(3,4-b)(1,4)benzoxazine, 8-amino-5-methyl-3-(4-methyl-1-piperazinyl)-
CID 6410488
Pipofezine hydrochloride
CID 159976
Ethanamine, N,N-diethyl-2-((5-methyl-5H-pyridazino(3,4-b)(1,4)benzoxazin-3-yl)oxy)-, dihydrochloride
CID 6410477
3-[4-(4-Fluorophenyl)-1-piperazinyl]-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine
CID 614833
3,6-Dichloro-4-{4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl}pyridazine
CID 15984826
5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-methyl-3-(1-piperazinyl)-
CID 214832
5H-Pyridazino(3,4-b)(1,4)benzoxazine, 3-chloro-5-(3-(dimethylamino)propyl)-8-nitro-
CID 6410485
5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-(3-(dimethylamino)propyl)-8-nitro-
CID 6410486

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine (CID 658768) is N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine is CCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C.
What is the InChIKey of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine?
The InChIKey is SQQOKMXKQMFOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-21(5-2)10-11-22-16-12-14-17(19-18-16)23-15-9-7-6-8-13(15)20(14)3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine?
N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine has a molecular weight of 314.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine is sourced from PubChem (CID 658768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).