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

C17H24Cl2N4O2 — CID 6410477

IUPACN,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride
SMILESCCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/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;2*1H
InChIKeyKNXJJBFMNGIONQ-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.91
Rot. Bonds6

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

N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride (PubChem CID 6410477) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride
PubChem CID6410477
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC NameN,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride
SMILESCCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/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;2*1H
InChIKeyKNXJJBFMNGIONQ-UHFFFAOYSA-N
XLogP3.91
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride?
The IUPAC name of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride (CID 6410477) is N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride.
What is the SMILES notation for N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride?
The canonical SMILES for N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride is CCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride?
The InChIKey is KNXJJBFMNGIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2ClH/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;2*1H.
What are the key properties of N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride?
N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine;dihydrochloride has a molecular weight of 387.31 g/mol, XLogP of 3.91, 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;dihydrochloride is sourced from PubChem (CID 6410477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).