N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine

C12H20N4O — CID 62284393

IUPACN-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C12H20N4O/c1-2-5-13-10-11-3-4-12(15-14-11)16-6-8-17-9-7-16/h3-4,13H,2,5-10H2,1H3
InChIKeyDUNWTEJLCKJCOF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds5

About N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine

N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine (PubChem CID 62284393) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
PubChem CID62284393
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C12H20N4O/c1-2-5-13-10-11-3-4-12(15-14-11)16-6-8-17-9-7-16/h3-4,13H,2,5-10H2,1H3
InChIKeyDUNWTEJLCKJCOF-UHFFFAOYSA-N
XLogP0.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
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

N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754
N-[[6-(4,4-diethylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63160096
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62282587
4-(6-ethylpyridazin-3-yl)morpholine
CID 118486685
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
CID 55054747
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
CID 62284394
N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 66370018
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
CID 82036401
N-[[6-(3-methoxypiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 102967726
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63026518

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine (CID 62284393) is N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine is CCCNCc1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is DUNWTEJLCKJCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-13-10-11-3-4-12(15-14-11)16-6-8-17-9-7-16/h3-4,13H,2,5-10H2,1H3.
What are the key properties of N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine?
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62284393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).