6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine

C13H21ClN4O — CID 55169476

IUPAC6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCCN2CCOCC2)c1C
InChIInChI=1S/C13H21ClN4O/c1-10-11(2)13(17-16-12(10)14)15-4-3-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H,15,17)
InChIKeyFAHNNZOYKMNKFJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.88
Rot. Bonds5

About 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine (PubChem CID 55169476) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
PubChem CID55169476
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCCN2CCOCC2)c1C
InChIInChI=1S/C13H21ClN4O/c1-10-11(2)13(17-16-12(10)14)15-4-3-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H,15,17)
InChIKeyFAHNNZOYKMNKFJ-UHFFFAOYSA-N
XLogP1.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 88906606
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine (CID 55169476) is 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine is Cc1c(Cl)nnc(NCCCN2CCOCC2)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine?
The InChIKey is FAHNNZOYKMNKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-10-11(2)13(17-16-12(10)14)15-4-3-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H,15,17).
What are the key properties of 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine has a molecular weight of 284.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine is sourced from PubChem (CID 55169476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).