N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine

C18H28N6O — CID 95847136

IUPACN-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine
SMILESCOCCNc1ccc(C[C@@H]2CCCN(Cc3cncn3C)C2)nn1
InChIInChI=1S/C18H28N6O/c1-23-14-19-11-17(23)13-24-8-3-4-15(12-24)10-16-5-6-18(22-21-16)20-7-9-25-2/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyHVYLTANPFHSGDL-HNNXBMFYSA-N
MW344.46 g/mol
LogP1.72
Rot. Bonds8

About N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine

N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine (PubChem CID 95847136) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine
PubChem CID95847136
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine
SMILESCOCCNc1ccc(C[C@@H]2CCCN(Cc3cncn3C)C2)nn1
InChIInChI=1S/C18H28N6O/c1-23-14-19-11-17(23)13-24-8-3-4-15(12-24)10-16-5-6-18(22-21-16)20-7-9-25-2/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyHVYLTANPFHSGDL-HNNXBMFYSA-N
XLogP1.72
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazin-3-amine
CID 110257798
2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95847101
N-(2-methoxyethyl)-6-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyridazin-3-amine
CID 110271611
N-[6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124980742
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
CID 91829440
3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 97102083
4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide
CID 167817944
2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 95823368
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 66117964
3-chloro-2-fluoro-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]benzamide
CID 166287232
N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
CID 118747416

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine (CID 95847136) is N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine is COCCNc1ccc(C[C@@H]2CCCN(Cc3cncn3C)C2)nn1.
What is the InChIKey of N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine?
The InChIKey is HVYLTANPFHSGDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-23-14-19-11-17(23)13-24-8-3-4-15(12-24)10-16-5-6-18(22-21-16)20-7-9-25-2/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine?
N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 95847136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).