6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine

C11H17N5O — CID 12713259

IUPAC6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine
SMILESCC(C)=NNc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C11H17N5O/c1-9(2)12-13-10-3-4-11(15-14-10)16-5-7-17-8-6-16/h3-4H,5-8H2,1-2H3,(H,13,14)
InChIKeyPHGLUIAXQDYMBW-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.12
Rot. Bonds3

About 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine

6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine (PubChem CID 12713259) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine
PubChem CID12713259
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine
SMILESCC(C)=NNc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C11H17N5O/c1-9(2)12-13-10-3-4-11(15-14-10)16-5-7-17-8-6-16/h3-4H,5-8H2,1-2H3,(H,13,14)
InChIKeyPHGLUIAXQDYMBW-UHFFFAOYSA-N
XLogP1.12
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine?
The IUPAC name of 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine (CID 12713259) is 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine?
The canonical SMILES for 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine is CC(C)=NNc1ccc(N2CCOCC2)nn1.
What is the InChIKey of 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine?
The InChIKey is PHGLUIAXQDYMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9(2)12-13-10-3-4-11(15-14-10)16-5-7-17-8-6-16/h3-4H,5-8H2,1-2H3,(H,13,14).
What are the key properties of 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine?
6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine has a molecular weight of 235.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-(propan-2-ylideneamino)pyridazin-3-amine is sourced from PubChem (CID 12713259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).