N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine

C15H18N4O — CID 6410490

IUPACN,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Oc2nnccc21
InChIInChI=1S/C15H18N4O/c1-18(2)10-5-11-19-12-6-3-4-7-14(12)20-15-13(19)8-9-16-17-15/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyCZFRJZFILCBDGC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.67
Rot. Bonds4

About N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine

N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine (PubChem CID 6410490) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine
PubChem CID6410490
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Oc2nnccc21
InChIInChI=1S/C15H18N4O/c1-18(2)10-5-11-19-12-6-3-4-7-14(12)20-15-13(19)8-9-16-17-15/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyCZFRJZFILCBDGC-UHFFFAOYSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine (CID 6410490) is N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine is CN(C)CCCN1c2ccccc2Oc2nnccc21.
What is the InChIKey of N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine?
The InChIKey is CZFRJZFILCBDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18(2)10-5-11-19-12-6-3-4-7-14(12)20-15-13(19)8-9-16-17-15/h3-4,6-9H,5,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine?
N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine has a molecular weight of 270.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine is sourced from PubChem (CID 6410490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).