6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine

C14H15ClN4O — CID 60674960

IUPAC6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
SMILESClc1ccc(Nc2ccc(N3CCOCC3)cc2)nn1
InChIInChI=1S/C14H15ClN4O/c15-13-5-6-14(18-17-13)16-11-1-3-12(4-2-11)19-7-9-20-10-8-19/h1-6H,7-10H2,(H,16,18)
InChIKeyXUBNUSLRHOQVMH-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.71
Rot. Bonds3

About 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine

6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine (PubChem CID 60674960) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
PubChem CID60674960
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
SMILESClc1ccc(Nc2ccc(N3CCOCC3)cc2)nn1
InChIInChI=1S/C14H15ClN4O/c15-13-5-6-14(18-17-13)16-11-1-3-12(4-2-11)19-7-9-20-10-8-19/h1-6H,7-10H2,(H,16,18)
InChIKeyXUBNUSLRHOQVMH-UHFFFAOYSA-N
XLogP2.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-phenylaniline
CID 159018746
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione
CID 168518113
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087
6-chloro-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine;ethane
CID 143206283

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine (CID 60674960) is 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine is Clc1ccc(Nc2ccc(N3CCOCC3)cc2)nn1.
What is the InChIKey of 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
The InChIKey is XUBNUSLRHOQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-13-5-6-14(18-17-13)16-11-1-3-12(4-2-11)19-7-9-20-10-8-19/h1-6H,7-10H2,(H,16,18).
What are the key properties of 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine has a molecular weight of 290.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine is sourced from PubChem (CID 60674960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).