N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine

C13H19N5O — CID 54416085

IUPACN-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine
SMILESc1cnnc(N2CCCCC2=NN2CCOCC2)c1
InChIInChI=1S/C13H19N5O/c1-2-7-18(12-5-3-6-14-15-12)13(4-1)16-17-8-10-19-11-9-17/h3,5-6H,1-2,4,7-11H2
InChIKeyHQJFFGRJILUZJN-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.11
Rot. Bonds2

About N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine

N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine (PubChem CID 54416085) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine.

Molecular Properties

Compound NameN-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine
PubChem CID54416085
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine
SMILESc1cnnc(N2CCCCC2=NN2CCOCC2)c1
InChIInChI=1S/C13H19N5O/c1-2-7-18(12-5-3-6-14-15-12)13(4-1)16-17-8-10-19-11-9-17/h3,5-6H,1-2,4,7-11H2
InChIKeyHQJFFGRJILUZJN-UHFFFAOYSA-N
XLogP1.11
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine?
The IUPAC name of N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine (CID 54416085) is N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine.
What is the SMILES notation for N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine?
The canonical SMILES for N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine is c1cnnc(N2CCCCC2=NN2CCOCC2)c1.
What is the InChIKey of N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine?
The InChIKey is HQJFFGRJILUZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-7-18(12-5-3-6-14-15-12)13(4-1)16-17-8-10-19-11-9-17/h3,5-6H,1-2,4,7-11H2.
What are the key properties of N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine?
N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine has a molecular weight of 261.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-1-pyridazin-3-ylpiperidin-2-imine is sourced from PubChem (CID 54416085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).